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The first-order molecular hyperpolarizability (β) dispersion was measured in seven chalcone-based molecules utilizing the tunable femtosecond hyper-Rayleigh scattering (tHRS) technique. Additionally, a theoretical model based on photophysical parameters was employed to better understand β dispersion. Due to the distinct substitution patterns of the aryl/heteroaryl rings within the chalcone structure, varying profiles of one- and two-photon absorption spectra and β dispersion were observed. The applied model highlighted two important factors contributing to achieving high β values: (i) the presence of red-shifted one-photon and two-photon absorption bands; and (ii) the number of discernible absorption bands. To contextualize these results with other molecular structures, we employed the HRS figure of merit (FOM). Remarkably, it was revealed that chemically engineered small chalcone molecules exhibit a FOM comparable to larger quadrupolar and octupolar ones. This underscores the significance of tHRS scattering measurements and their correlation with absorptive parameters in the design and characterization of nonlinear optical materials. [ABSTRACT FROM AUTHOR]

Three new flavonoids including two isoflavanones sophortones A and B (1 and 2), and one chalcone sophortone C (3) were isolated from the roots of Sophora tonkinensis. Their structures were established by UV, IR, HRESIMS, and NMR data. The absolute configurations of 1 and 2 were determined by electronic circular dichroism (ECD) calculations. [ABSTRACT FROM AUTHOR]

A series of (2E)-3-[2,4-bis(2-propen-1-yloxy)phenyl]-1-phenyl]-2-propen-1-ones—chalcone derivatives with O-allyloxy groups—were synthesized in good yields and characterized by different analytical techniques. Their anticancer activity was evaluated against the A549 (lung cancer) cell line. The most active compounds of this series were the 1-(4-fluorophenyl derivative 9c (IC50 = 0.48 ± 0.07 µM) and the 1-(4-octyloxy)phenyl derivative 9f (IC50 = 0.04 ± 0.01 µM). Network pharmacology analysis using the SwissTarget and DisGeNet databases identified potential targets for 9c in the Non-Small Cell Lung Carcinoma (NSCLC) cell line. Protein–Protein Interaction (PPI) network analysis revealed seven hub genes: MAPK14, PTGS2, HSP90AA1, MAPK8, NOS2, SYK, and NR3C1. Gene ontology analysis highlighted diverse biological functions. KEGG pathway analysis implicated pathways in cancer and immunoregulation. Molecular docking analysis suggested a strong interaction between 9c with MAPK14 (calculated docking score of –8.4 kcal mol–1). Compound 9c's potent activity warrants further preclinical and clinical evaluation as a potential NSCLC therapy Based on this results, study of heterocyclic compounds with O-allyloxy groups will help to explore their impact on anticancer activity and mechanistic pathway. [ABSTRACT FROM AUTHOR]

In a Correspondence on our previous work, “Visible light‐switchable chalcone flavylium photochromic systems in aqueous media” published in this journal in 2023, Pina et al. comment on certain aspects of our work, raising skepticism and questions about the switching of the chalcone‐flavylium systems. We appreciate their comments and acknowledge the remarkable contribution of Pina and co‐workers in this field. In this Reply, additional data, control experiments, clarifications, and discussions are presented to justify our statements. [ABSTRACT FROM AUTHOR]

A focussed library of pyridyl and 2-hydroxyphenyl chalcones were synthesized and tested for growth inhibitory activity against Mycobacterium tuberculosis H37Rv, and normal and cancer breast cell lines. Pyridyl chalcones bearing lipophilic A-ring, e.g., dichloro-phenyl-(14), pyrene-1-yl (20)- and biphenyl-4-yl (21) moieties were found to be the most potent of the series inhibiting the growth of M. tuberculosis H37Rv with IC90 values ranging from 8.9–28 µM. Aryl chalcones containing a 3-methoxyphenyl A-ring and either p-Br-phenyl (25) or p-Cl-phenyl (26) B-rings showed an IC90 value of 28 µM. Aryl-chalcones were generally less toxic to HepG2 cells compared to pyridyl-chalcones. Dose-dependent antiproliferative activity against MDA468 cells was observed for trimethoxy-phenyl (16) and anthracene-9-yl (19) pyridyl-chalcones with IC50 values of 0.7 and 0.3 µM, respectively. Docking studies revealed that chalone 20 was predicted to bind to the M. tuberculosis protein tyrosine phosphatases B (PtpB) with higher affinity compared to a previously reported PtpB inhibitor. [ABSTRACT FROM AUTHOR]

The quest for novel therapeutic agents has rekindled interest in natural products, particularly those derived from biotransformation processes. Dihydrochalcones, a class of plant secondary metabolites, exhibit a range of pharmacological properties. Chalcone and dihydrochalcone compounds with the characteristic 4'-hydroxy substitution are present in 'dragon's blood' resin, known for its traditional medicinal uses and complex composition, making the isolation of these compounds challenging. This study investigates the efficient production of 4′-hydroxydihydrochalcones using non-conventional yeast strains. We evaluated the biotransformation efficiency of various 4′-hydroxychalcone substrates utilizing yeast strains such as Yarrowia lipolytica KCh 71, Saccharomyces cerevisiae KCh 464, Rhodotorula rubra KCh 4 and KCh 82, and Rhodotorula glutinis KCh 242. Our findings revealed that Yarrowia lipolytica KCh 71, Rhodotorula rubra KCh 4 and KCh 82, and Rhodotorula glutinis KCh 242 exhibited the highest conversion efficiencies, exceeding 98% within one hour for most substrates. The position of methoxy substituents in the chalcone ring significantly influenced hydrogenation efficiency. Moreover, we observed isomerization of trans-4′-hydroxy-2-methoxychalcone to its cis isomer, catalyzed by light exposure. This study underscores the potential of using yeast strains for the sustainable and efficient production of dihydrochalcones, providing a foundation for developing new therapeutic agents and nutraceuticals. [ABSTRACT FROM AUTHOR]

Under solvent-free conditions and with the help of ultrasonic irradiation, the synthesis of pyrano[3,2-c]chromen and pyrano[3,2-c]quinolin derivatives was promoted by four different ionic liquids. All reaction was performed at 100 °C and had good to excellent yields. 1-butyl-1-methylpyrrolidin-1-ium acetate (A), 1-butyl-1-methylpiperidin-1-ium acetate (B), N,N,N-triethylbutan-1-aminium acetate (C), and tetrabutylammonium acetate (D) as perfect ionic liquids for this reaction show remarkable catalytic activity. The work was simply developed for the reaction of chalcones with 4-hydroxy-1-methylquinolin-2(1H)-one/4-hydroxycoumarin to perform pure products of pyran heterocycles. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Many industries are plagued by economic losses and product failures caused by counterfeit goods. Therefore, advanced anti‐counterfeiting techniques are continuously needed. In this study, we constructed a series of acid‐base sensitive cyclic chalcone dyes A—F by modifying different electron‐donating groups. Differences in acid sensitivity of different structures are well rationalised by NMR and theoretical calculations. Aniline is difficult to protonate than fatty amines, so there is a difference in fluorescence. Hiding and anti‐counterfeiting of information is achieved by this phenomenon. Powder X and Y are the anti‐counterfeit fluorescent powder containing montmorillonite and cyclic chalcone, which have orange fluorescence and the very similar appearance. However, under the influence of acid the Powder X containing triphenylamine modified cyclic chalcone shows red shifted fluorescence and Powder Y containing morpholino and diethylamino groups modified cyclic chalcone shows blue shifted fluorescence. Therefore, the anti‐counterfeiting strategy based on cyclic chalcone is not only limited to UV‐irradiated fluorescence development, but also has more colorization and pattern variations with the aid of acid developer. Data encryption and decryption of numbers, English alphabets and Chinese characters have been realized using A—F, which have great potential for practical applications. [ABSTRACT FROM AUTHOR]

Chalcones are phenolic compounds with biological properties. This study had the aim to evaluate the effects of topical administration of a new synthetic chalcone, Chalcone T4, in an animal model of periodontitis induced by ligature. Forty rats were distributed in the following experimental groups: negative control (without periodontitis and topical application of distilled water), positive control (periodontitis and topical application of distilled water), chalcone I and II (periodontitis and topical application of 0.6 mg/mL and 1.8 mg/mL, respectively). Chalcone or distilled water was administered into the gingival sulcus of the first molars daily for 10 days, starting with the ligature installation. The following outcomes were evaluated: alveolar bone loss (µCT and methylene blue dye staining), quantification of osteoclasts (histomorphometry), cell infiltrate and collagen content (stereometry), gene expression of mediators (Nfact11, Tnf-α, Mmp-13, iNos, Sod and Nrf2) by (RT-qPCR); expression of BCL-2 and Caspase-1 (immunohistochemistry). Chalcone T4 inhibited bone resorption and prevented collagen matrix degradation. Reduction in the expression of inflammatory markers (Nfact11, Tnf-α, Mmp-13, and Caspase-1), attenuation of oxidative stress (iNOS reduction, and increase in Sod), and pro-apoptotic effect of the compound (BCL-2 reduction), were associated its effects on periodontal tissues. Topical application of Chalcone T4 prevented bone resorption and inflammation, demonstrating potential in the adjunctive treatment of periodontitis. [ABSTRACT FROM AUTHOR]

Diels‐Alder (DA) cycloaddition of chalcones to anthracene and its 9‐substituted derivatives is an example of a demanding reaction that is not effective even under increased pressure. In this article we show that an easily accessible complex cation [Co(CH3NO2)6]2+ stabilized by weakly coordinating anion [Al(OC(CF3)3)4]− exhibits good catalytic activity in the reaction. Our screening covering chalcone and anthracene derivatives with either activating or deactivating effects on reactivity in DA cycloadditions show that the catalyst allows to obtain [4+2] cycloadducts with yields up to 99 % under mild conditions, even for 9‐bromoanthracene – a very poor diene in DA reactions. The reaction proceeds best in liquid SO2, which is an unusual solvent for this type of reaction. 9‐methylanthracene ‐ the most reactive diene among those tested in the study ‐ gives two regioisomeric cycloadducts and their ratio depends on the solvent used. Modeling of the reaction with DFT methods shows that Co(II) significantly lowers the activation energy of the cycloaddition. In the case of 9‐bromoanthracene the effect is much more pronounced than with e. g. recently reported redox‐activation of the diene, which is in agreement with much better yields obtained with the use of the cobalt catalyst. [ABSTRACT FROM AUTHOR]

In a recent Communication in this journal, Bandyopadhyay and co‐workers proposed a rational design of chalcone photoswitches that are claimed to convert into the respective flavylium cations upon irradiation with blue, green, and red light in aqueous media. Here we argue that the reported improvements on the optical/photochemical properties of the new chalcone photoswitches are not substantiated and that the proposed design and data interpretation rely on assumptions that have yet to be validated. We also identify a series of control experiments that can be performed to verify the hypotheses and better support the conclusions presented by the authors. [ABSTRACT FROM AUTHOR]

The International Journal of Molecular Sciences has published a special issue titled "Rational Design and Synthesis of Bioactive Molecules." The issue covers various topics related to rational drug design and provides up-to-date information and recent advances in the field. The articles in the issue discuss the design and synthesis of bioactive molecules for different pharmacological systems and diseases, including cancer, viruses, immune response, and reactive oxygen radicals. The use of computational methods, such as molecular docking and molecular dynamics simulations, is highlighted as a valuable tool in drug development research. The issue also explores the design of new drug candidates with enhanced biological action, the antioxidant properties of flavonoids, the development of sustained-release drug delivery systems, the search for antiviral agents, the discovery of antibiotics with novel structures, and the biotransformation processes of 4'-hydroxychalcones. The special issue aims to provide valuable insights and inspire further research in the rational design of bioactive compounds. [Extracted from the article]

Chalcones constitute an important group of natural compounds abundant in fruits and comestible plants. They are a subject of increasing interest because of their biological activities, including anti-diabetic and anti-obesity effects. The simple chalcone structural scaffold can be modified at multiple sites with different chemical moieties. Here, we generated an artificial chalcone, i.e., 3,5-dimethyl-2,4,6-trimethoxychalcone (TriMetChalc), derived from 2′,4′-Dihydroxy-6′-methoxy-3′,5′-dimethylchalcone (DMC). DMC is a major compound of Cleistocalyx operculatus, a plant widely used in Asia for its anti-hyperglycemic activity. Using ob/ob mice as an obesity model, we report that, after 3 weeks of per os administration, TriMetChalc modified food intake through the specific activation of brain structures dedicated to the regulation of energy balance. TriMetChalc also decreased weight gain, glucose intolerance, and hepatic steatosis. Moreover, through extensive liver lipidomic analysis, we identified TriMetChalc-induced modifications that could contribute to improving the liver status of the animals. Hence, TriMetChalc is a chalcone derivative capable of reducing food intake and the addition of glucose intolerance and hepatic steatosis in a mouse model of obesity. In light of these results, we believe that TriMetChalc action deserves to be more deeply evaluated over longer treatment periods and/or in combination with other chalcones with protective effects on the liver. [ABSTRACT FROM AUTHOR]

Comprehensive Summary A new fluorescent fingerprint powder (DFF‐MMT) was formulated by blending cyclic chalcone dye DFF with montmorillonite (MMT), which can develop latent fingerprints (LFPs) with exceptional resolution and contrast on various surfaces, including ordinary glass, tin foil, marble, LED screens, and materials with distinct colors and fluorescent backgrounds. The fluorescence of DFF‐MMT transforms from orange to bright yellow with LFPs, allowing for a flawless visualization of fingerprints on uneven surfaces or materials with static electricity. Impressively, fingerprints developed by DFF‐MMT can be stored for over 21 months and conveniently duplicated. The developed LFPs by DFF‐MMT still keep high quality under the influence of aquatic condition, illumination and thermal effects. DFF‐MMT also exhibits benefits, such as affordability, real‐time, high‐resolution, high‐contrast development and no damage to DNA, making it an ideal choice for sophisticated criminal investigations. [ABSTRACT FROM AUTHOR]

Phenol soluble modulins (PSMs) are small amphipathic peptides involved in a series of biological functions governing staphylococcal pathogenesis, primarily by facilitating the formation of an extracellular fibril structure with amyloid-like properties. This fibrillar architecture stabilizes the staphylococcal biofilm making it resilient to antibiotic treatment. Our study aims to abrogate the amyloid fibrillation of PSM α1 with novel insights on the amyloid modulatory potential of a prenylated chalcone, Isobavachalcone (IBC). A combination of biophysical and computational assays to address the amyloid modulatory effect of IBC has been undertaken to arrive at a model for the inhibition of PSM α1 fibrillation. ThT kinetics studies indicated that IBC must be stably interacting with the amyloidogenic core of PSM α1 monomers or it may be inhibiting the pre-fibrillar aggregates populated at the early stages of amyloid transformation kinetics. This heteromolecular association further inhibits the amyloid transformation corroborated by a ∼ 94% and ∼ 91% reduction in the ThT maxima, even at sub-stoichiometric concentrations. Transmission electron microscopy (TEM) of end-stage aggregates (∼ 55 h) depict mature, inter-twined, laterally stacked amyloid fibrils in untreated PSM α1 samples while this fibrillar load is remarkably reduced in the presence of IBC. The inhibitory effect of IBC on the β-sheet transitions of PSM α1 were also validated using far-UV CD spectra. Molecular dynamics simulation studies with PSM aggregates (PSM-A) have also suggested that IBC disrupts the hydrogen bonding interactions and corroborates the inhibition of alpha to beta transitions of PSM-A. Collectively, our data proposes a novel structural motif for the rational discovery of non-toxic therapeutic agents targeting the functional amyloids which have slowly emerged as potent factors, consolidating the antibiotic resistant staphylococcal biofilm assembly. [ABSTRACT FROM AUTHOR]

Pyrylium salts based on a cationic oxygen heterocycle are a key class of chromophores. However, synthesis of these salts generally requires use of harsh acids, copious organic solvents, and in many cases, hazardous conditions. This work provides a two-pot synthesis for substituted triphenyl pyrylium salts wherein chalcone intermediates are first prepared and then mild methanesulfonic acid is used in combination with a dehydrating agent to drive pyrylium cyclization. Purification is achieved through a simple, aqueous workup involving counterion metathesis which avoids the need for environmentally unfriendly organic solvents. This mild, green approach has been applied to synthesize a collection of known pyryliums as well as a new family of red-shifted pyrylium chromophores bearing p -pyrrolidinylphenyl substituents. The synthesis of the latter group demonstrates that unlike other current methods, our approach offers enhanced functional group tolerance as well as finer control over substituent placement. [ABSTRACT FROM AUTHOR]

BACKGROUND: Despite the well-recognized effectiveness of Ruscus aculetus extract combined or not with ascorbic acid (AA) and hesperidine methyl chalcone (HMC) on ischemia reperfusion (I/R) injury protection, little is known about the contribution of each constituent for this effect. OBJECTIVE: To investigate the effects of AA and HMC combined or not with Ruscus extract on increased macromolecular permeability and leukocyte-endothelium interaction induced by I/R injury. METHODS: Hamsters were treated daily during two weeks with filtered water (placebo), AA (33, 100 and 300 mg/kg/day) and HMC (50, 150 and 450 mg/kg/day) combined or not with Ruscus extract (50, 150 and 450 mg/kg/day). On the day of experiment, the cheek pouch microcirculation underwent 30 min of ischemia, and the number of rolling and adherent leukocytes and leaky sites were evaluated before ischemia and during 45 min of reperfusion. RESULTS: Ruscus extract combined with AA and HMC (Ruscus extract mixture) significantly prevented post-ischemic increase in leukocyte rolling and adhesion and macromolecular permeability compared to placebo and these effects were more prominent than AA and HMC alone on leukocyte adhesion and macromolecular leakage. CONCLUSION: Ruscus extract mixture were more effective than its isolated constituents in protect the hamster cheek pouch microcirculation against I/R injury. [ABSTRACT FROM AUTHOR]

Through a facile two-step synthetic procedure, three metal-free organic dyes having D-π-A kind of structure, belonging to chalcone family have been designed, produced and anchored on one dimensional cadmium sulfide nanowires (1D CdS NWs) to serve as a light energy harvester through dye-sensitized solar cells (DSSC) assembly. In order to anchor dye on CdS NWs nano-network, solution chemistry has been used in an easy and effective manner. The sensitizing capability of synthesized materials has been evaluated using optical and electrochemical studies, density functional theory (DFT) simulations, and photovoltaic performances. In line with a detailed analysis of fabricated Dye sensitized solar cells containing T4PC a photovoltaic efficiency yields 4.35 times (0.487%) more than that of bare CdS NWs (0.112%), while the other devices having T3PC and T2PC have shown 3.0 (0.338%) and 2.40 (0.273%) times greater photovoltaic efficiencies, respectively under standard light illumination. The obtained results offer solid evidence in favour of boosting external quantum efficiency (EQE) and reflect good agreement with the optical studies. [ABSTRACT FROM AUTHOR]

In the context of designing innovative anticancer agents, the synthesis of a series of chalcones bearing a 3,4,5-trimethoxylated A ring and a variety of B rings, including phenols and original heterocycles such as chromones, was conducted. For this end, Claisen–Schmidt condensation was performed in basic or acidic conditions between the common starting material 3,4,5-trimethoxyacetophenone and appropriate aldehydes; this allowed the recovery of fifteen chalcones in moderate–good yields. The synthesized compounds were screened for their antiproliferative activity against colorectal and prostatic cancer cells, using a colorimetric MTT assay. Among the new chromonyl series, chalcone 13 demonstrates an interesting antiproliferative effect, with IC50 values in the range of 2.6–5.1 µM at 48 h. Then, our study evidenced that indolyl chalcone 10 exhibits excellent activity towards the selected cell lines (with IC50 less than 50 nM). This compound has already been described and has been shown to be a potent anticancer agent against other cancer cell lines. Our investigations highlighted apoptosis induction, through several pro-apoptotic markers, of these two heterocyclic chalcones. Considering phenolic chalcones, compounds 2 and 8 were found to be the most active against cell proliferation, exerting their effect by inducing the depolymerization of cell microtubules. The most promising compounds in this series will be selected for application in a strategy of vectorization by either active or passive targeting. [ABSTRACT FROM AUTHOR]

A series of novel thiazole-based chalcones were evaluated for their anticancer activity as potential tubulin polymerization inhibitors. In vitro anticancer screening for the thiazole derivatives 2a–2p exhibited broad-spectrum antitumor activity against various cancer cell lines particularly Ovar-3 and MDA-MB-468 cells with a GI50 range from 1.55 to 2.95 μΜ, respectively. Compound 2e demonstrated significant inhibition of tubulin polymerization, with an IC50 value of 7.78 μM compared to Combretastatin-A4 (CA-4), with an IC50 value of 4.93 μM. Molecular docking studies of compounds 2e, 2g, and 2h into tubulin further supported these findings, revealing that they bind effectively to the colchicine binding site, mirroring key interactions exhibited by CA-4. Computational predictions suggested favorable oral bioavailability and drug-likeness for these compounds, highlighting their potential for further development as chemotherapeutic agents. [ABSTRACT FROM AUTHOR]

The title compound, (E)-5-(3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-en-1-yl)benzo[d]oxazol-2(3H)-one, was synthesized by the acid- and base-catalyzed aldol condensation of 2-oxo-2,3-dihydrobenzo[d]oxazole-5-carbaldehyde and 3,4,5-trimethoxyacetophenone. The structure of the target compound was confirmed using 1H NMR, 13C NMR, HRMS, and elemental analysis. [ABSTRACT FROM AUTHOR]

Chalcones have been utilized for centuries as foods and medicines across various cultures and traditions worldwide. This paper concisely overviews their biosynthesis as specialized metabolites in plants and their significance, potential, efficacy, and possibility as future medicines. This is followed by a more in-depth exploration of naturally occurring chalcones and their corresponding mechanisms of action in human bodies. Based on their mechanisms of action, chalcones exhibit many pharmacological properties, including antioxidant, anti-inflammatory, anticancer, antimalarial, antiviral, and antibacterial properties. Novel naturally occurring chalcones are also recognized as potential antidiabetic drugs, and their effect on the GLUT-4 transporter is investigated. In addition, they are examined for their anti-inflammatory effects, focusing on chalcones used for future pharmaceutical utilization. Chalcones also bind to specific receptors and toxins that prevent bacterial and viral infections. Chalcones exhibit physiological protective effects on the biological degradation of different systems, including demyelinating neurodegenerative diseases and preventing hypertension or hyperlipidemia. Chalcones that are/were in clinical trials have been included as a separate section. By revealing the many biological roles of chalcones and their impact on medicine, this paper underlines the significance of naturally occurring chalcones and their extension to patient care, providing the audience with an index of topic-relevant information. [ABSTRACT FROM AUTHOR]

Natural compounds are important precursors for the synthesis of new drugs. The development of novel molecules that are useful for various diseases is the main goal of researchers, especially for the diagnosis and treatment of many diseases. Some pathologies need to be treated with radiopharmaceuticals, and, for this reason, radiopharmaceuticals that use the radiolabeling of natural derivates molecules are arousing more and more interest. Radiopharmaceuticals can be used for both diagnostic and therapeutic purposes depending on the radionuclide. β+- and gamma-emitting radionuclides are used for diagnostic use for PET or SPECT imaging techniques, while α- and β−-emitting radionuclides are used for in metabolic radiotherapy. Based on these assumptions, the purpose of this review is to highlight the studies carried out in the last ten years, to search for potentially useful radiopharmaceuticals for nuclear medicine that use molecules of natural origin as lead structures. In this context, the main radiolabeled compounds containing natural products as scaffolds are analyzed, in particular curcumin, stilbene, chalcone, and benzofuran. Studies on structural and chemical modifications are emphasized in order to obtain a collection of potential radiopharmaceuticals that exploit the biological properties of molecules of natural origin. The radionuclides used to label these compounds are 68Ga, 44Sc, 18F, 64Cu, 99mTc, and 125I for diagnostic imaging. [ABSTRACT FROM AUTHOR]

Chalcone is a simple naturally occurring α,β-unsaturated ketone with biological importance, which can also be easily synthesized in laboratories by reaction between two aromatic scaffolds. In plants, chalcones occur as polyphenolic compounds of different frameworks which are bioactive molecules that have been in traditional medicinal practice for many years. Chalcone-based lead molecules have been developed, possessing varied potentials such as antimicrobial, antiviral, anti-inflammatory, anticancer, anti-oxidant, antidiabetic, antihyperurecemic, and anti-ulcer effects. Chalcones contribute considerable fragments to give important heterocyclic molecules with therapeutic utilities targeting various diseases. These characteristic features have made chalcone a topic of interest among researchers and have attracted investigations into this widely applicable structure. This review highlights the extensive exploration carried out on the synthesis, biotransformations, chemical reactions, hybridization, and pharmacological potentials of chalcones, and aims to provide an extensive, thorough, and critical review of their importance, with emphasis on their properties, chemistry, and biomedical applications to boost future investigations into this potential scaffold in medicinal chemistry. [ABSTRACT FROM AUTHOR]

Citrus species are widely cultivated across the globe and frequently encounter drought stress during their growth and development phases. Previous research has indicated that citrus species synthesize flavonoids as a response mechanism to drought stress. This study aimed to comprehensively quantify and analyze the presence of 85 distinct flavonoids in the leaf and root tissues of lemon (drought susceptible) and sour orange (drought tolerant). In drought-stressed sour orange roots, flavonoids, such as isosakuranin, mangiferin, trilobatin, liquiritigenin, avicularin, silibinin, and glabridin, were more elevated than control sour orange roots and drought-stressed lemon roots. Additionally, hydroxysafflor yellow A, cynaroside, tiliroside, and apigenin 7-glucoside were increased in drought-stressed sour orange leaves compared to drought-stressed lemon leaves. Under drought stress, flavonoids such as (-)-epigallocatechin, silibinin, benzylideneacetophenone, trilobatin, isorhamnetin, 3,7,4′-trihydroxyflavone, and liquiritigenin were significantly increased, by 3.01-, 3.01-, 2.59-, 2.43-, 2.07-, 2.05-, and 2.01-fold, in sour orange roots compared to control sour orange roots. Moreover, the total flavonoid content and antioxidant capacity were significantly increased in drought-stressed sour orange leaves and root tissues compared to drought-stressed lemon leaves and root tissues. The expression levels of genes involved in flavonoid biosynthesis were highly expressed in sour orange leaves and roots, compared to lemon leaves and root tissues, post-drought stress. These findings indicate that lemons fail to synthesize protective flavonoids under drought conditions, whereas sour orange leaves and root tissues enhance flavonoid synthesis, with higher antioxidant activities to mitigate the adverse effects of reactive oxygen species generated during drought stress. [ABSTRACT FROM AUTHOR]

We developed a bio-cheminformatics method, exploring disease inhibition mechanisms using machine learning-enhanced quantitative structure-activity relationship (ML-QSAR) models and knowledge-driven neural networks. ML-QSAR models were developed using molecular fingerprint descriptors and the Random Forest algorithm to explore the chemical spaces of Chalcones inhibitors against diverse disease properties, including antifungal, anti-inflammatory, anticancer, antimicrobial, and antiviral effects. We generated and validated robust machine learning-based bioactivity prediction models (https://github.com/RatulChemoinformatics/QSAR) for the top genes. These models underwent ROC and applicability domain analysis, followed by molecular docking studies to elucidate the molecular mechanisms of the molecules. Through comprehensive neural network analysis, crucial genes such as AKT1, HSP90AA1, SRC, and STAT3 were identified. The PubChem fingerprint-based model revealed key descriptors: PubchemFP521 for AKT1, PubchemFP180 for SRC, PubchemFP633 for HSP90AA1, and PubchemFP145 and PubchemFP338 for STAT3, consistently contributing to bioactivity across targets. Notably, chalcone derivatives demonstrated significant bioactivity against target genes, with compound RA1 displaying a predictive pIC50 value of 5.76 against HSP90AA1 and strong binding affinities across other targets. Compounds RA5 to RA7 also exhibited high binding affinity scores comparable to or exceeding existing drugs. These findings emphasize the importance of knowledge-based neural network-based research for developing effective drugs against diverse disease properties. These interactions warrant further in vitro and in vivo investigations to elucidate their potential in rational drug design. The presented models provide valuable insights for inhibitor design and hold promise for drug development. Future research will prioritize investigating these molecules for mycobacterium tuberculosis, enhancing the comprehension of effectiveness in addressing infectious diseases.

Abstract Background In this study, the potential anticancer activity and mechanism of action of SBD-2, a chalcone isolated from Shuteria involucrata, was investigated in colorectal cancer (CRC) cells. Results SBD-2 inhibited the proliferation of Caco-2 cells in a dose-dependent manner. It elicited the cells arrested in the G2/M phase and induced apoptosis. Mechanistically, SBD-2 inhibited Akt phosphorylation, which suppressed the ani-apoptotic protein Bcl-2 and cell cycle regulator Cyclin B1, leading to apoptosis ad cycle arrest, respectively. Conclusions The presented chalcone compound SBD-2 from Shuteria involucrata induced apoptosis and cell cycle arrest through inhibiting Akt pathway, highlighting the possibility to develop as a new agent for CRC treatment.

Flexible organic crystal materials with optical waveguide property have attracted much attention for various applications. Meanwhile, the rising demand for deep space and polar explorations have brought about a growing interest in materials with low temperature flexibility. However, the development of organic crystal materials integrating optical waveguide and low temperature elasticity remains a significant challenge. Here, three flexible organic crystals with bromo‐hydroxy chalcone backbone are developed via molecular engineering strategy. The 4BHIE crystal with 4‐bromo‐N‐ethyl substituent exhibits superior 2D elasticity under mechanical external forces with ≈180° bending and 1.30 mm of curvature. The low optical loss coefficient of only 0.309 dB mm−1 also demonstrates potential applications in flexible optoelectronic waveguides. Interestingly, the introduction of a longer alkyl chain onto N atom of indole moiety (4BHIB) exhibits more remarkable flexibility with 0.35 mm of curvature due to its richer and more complex network of intermolecular interactions compared with that of 4BHIE. Furthermore, 5BHIE crystal with 5‐bromo‐N‐ethyl substituent shows not only elasticity at room temperature but also low‐temperature elasticity in liquid nitrogen with reversible temperature response owing to the strengthening intermolecular interactions at low temperature. 5BHIE crystal displays potential optical waveguide application in low temperature environments. [ABSTRACT FROM AUTHOR]

Multidrug resistance (MDR) mechanisms in cancer cells are greatly influenced by glutathione transferase P1-1 (hGSTP1-1). The use of synthetic or natural compounds as hGSTP1-1 inhibitors is considered an effective approach to overcome MDR. Nine compounds consisting of coumarin-6-sulfonamide linked to chalcone derivatives were synthesized and evaluated for their ability to inhibit hGSTP1-1. Among the synthetic derivatives, compounds 5g, 5f, and 5a displayed the most potent inhibitory effect, with IC50 values of 12.2 ± 0.5 μΜ, 12.7 ± 0.7 and 16.3 ± 0.6, respectively. Kinetic inhibition analysis of the most potent molecule, 5g, showed that it behaves as a mixed-type inhibitor of the target enzyme. An in vitro cytotoxicity assessment of 5a, 5f, and 5g against the human prostate cancer cell lines DU-145 and PC3, as well as the breast cancer cell line MCF-7, demonstrated that compound 5g exhibited the most pronounced cytotoxic effect on all tested cell lines. Molecular docking studies were performed to predict the structural and molecular determinants of 5g, 5f, and 5a binding to hGSTP1-1. In agreement with the experimental data, the results revealed that 5g exhibited the lowest docking score among the three studied inhibitors as a consequence of shape complementarity, governed by van der Waals, hydrogen bonds and a π-π stacking interaction. These findings suggest that coumarin-chalcone hybrids offer new perspectives for the development of safe and efficient natural product-based sensitizers that can target hGSTP1-1 for anticancer purposes. [ABSTRACT FROM AUTHOR]

In this study, heterocyclic compounds containing a benzothiophene scaffold were designed and synthetized, and their inhibitory activity against cholinesterases (ChE) and the viability of SH-SY5Y cells have been evaluated. Benzothiophenes 4a–4i and benzothiophene-chalcone hybrids 5a–5i were tested against both acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), revealing interesting structure–activity relationships. In general, benzothiophene–chalcone hybrids from series 5 proved to be better inhibitors of both enzymes, with compound 5f being the best AChE inhibitor (IC50 = 62.10 μM) and compound 5h being the best BChE inhibitor (IC50 = 24.35 μM), the last one having an IC50 similar to that of galantamine (IC50 = 28.08 μM), the reference compound. The in silico ADME profile of the compounds was also studied. Molecular docking calculations were carried out to analyze the best binding scores and to elucidate enzyme–inhibitors' interactions. [ABSTRACT FROM AUTHOR]

Background: In this study, the potential anticancer activity and mechanism of action of SBD-2, a chalcone isolated from Shuteria involucrata, was investigated in colorectal cancer (CRC) cells. Results: SBD-2 inhibited the proliferation of Caco-2 cells in a dose-dependent manner. It elicited the cells arrested in the G2/M phase and induced apoptosis. Mechanistically, SBD-2 inhibited Akt phosphorylation, which suppressed the ani-apoptotic protein Bcl-2 and cell cycle regulator Cyclin B1, leading to apoptosis ad cycle arrest, respectively. Conclusions: The presented chalcone compound SBD-2 from Shuteria involucrata induced apoptosis and cell cycle arrest through inhibiting Akt pathway, highlighting the possibility to develop as a new agent for CRC treatment. [ABSTRACT FROM AUTHOR]

A variety of medicinal compounds, including 4,6-di(1H-indol-3-yl)-1,6-dihydropyrimidin-2-amine, were synthesized through a single-step, multicomponent, stepwise reaction. In this reaction, a mixture of 1H-indole-3-Carbaldehyde, 1-(1H-indol-3-yl) ethanone and guanidine nitrate in ethanol was refluxed. The synthesized compounds were characterized using 1 H NMR and 13C NMR studies and their antimicrobial activities against Escherichia coli, Staphylococcus aureus, Aspergillus niger and Aspergillus flavus were evaluated. Molecular docking analysis revealed specific amino acid residues (LEU704, GLY708, LEU707, GLN711, MET749, PHE764, VAL746, MET787, MET745, LEU873, HIS874, VA; 903, MET742, ILE898, MET895, ILE899, TRP741, THR877, P HE 876, LEU701, MET780) are involved in the interaction between androgen receptor and ligand. The optimal interaction and docking score were observed (7.0 kcal/mol) [ABSTRACT FROM AUTHOR]

Chronic lymphocytic leukemia (CLL) is a malignancy of mature B cells, and it is the most frequent form of leukemia diagnosed in Western countries. It is characterized by the proliferation and accumulation of neoplastic B lymphocytes in the blood, lymph nodes, bone marrow and spleen. We report the synthesis and antiproliferative effects of a series of novel ethanoanthracene compounds in CLL cell lines. Structural modifications were achieved via the Diels–Alder reaction of 9-(2-nitrovinyl)anthracene and 3-(anthracen-9-yl)-1-arylprop-2-en-1-ones (anthracene chalcones) with dienophiles, including maleic anhydride and N-substituted maleimides, to afford a series of 9-(E)-(2-nitrovinyl)-9,10-dihydro-9,10-[3,4]epipyrroloanthracene-12,14-diones, 9-(E)-3-oxo-3-phenylprop-1-en-1-yl)-9,10-dihydro-9,10-[3,4]epipyrroloanthracene-12,14-diones and related compounds. Single-crystal X-ray analysis confirmed the structures of the novel ethanoanthracenes 23f, 23h, 24a, 24g, 25f and 27. The products were evaluated in HG-3 and PGA-1 CLL cell lines (representative of poor and good patient prognosis, respectively). The most potent compounds were identified as 20a, 20f, 23a and 25n with IC50 values in the ranges of 0.17–2.69 µM (HG-3) and 0.35–1.97 µM (PGA-1). The pro-apoptotic effects of the potent compounds 20a, 20f, 23a and 25n were demonstrated in CLL cell lines HG-3 (82–95%) and PGA-1 (87–97%) at 10 µM, with low toxicity (12–16%) observed in healthy-donor peripheral blood mononuclear cells (PBMCs) at concentrations representative of the compounds IC50 values for both the HG-3 and PGA-1 CLL cell lines. The antiproliferative effect of the selected compounds, 20a, 20f, 23a and 25n, was mediated through ROS flux with a marked increase in cell viability upon pretreatment with the antioxidant NAC. 25n also demonstrated sub-micromolar activity in the NCI 60 cancer cell line panel, with a mean GI50 value of 0.245 µM. This ethanoanthracene series of compounds offers potential for the further development of lead structures as novel chemotherapeutics to target CLL. [ABSTRACT FROM AUTHOR]

Malaria is an intracellular protozoan parasitic disease caused by Plasmodium species with significant morbidity and mortality in endemic regions. The complex lifecycle of the parasite and the emergence of drug‐resistant Plasmodium falciparum have hampered the efficacy of current anti‐malarial agents. To circumvent this situation, the present study attempts to demonstrate the blood‐stage anti‐plasmodial action of 26 hybrid compounds containing the three privileged bioactive scaffolds (sulfonamide, chalcone, and nitro group) with synergistic and multitarget action. These three parent scaffolds exhibit divergent activities, such as antibacterial, anti‐malarial, anti‐fungal, anti‐inflammatory, and anticancer. All the synthesised compounds were characterised using various spectroscopic techniques. The in vitro blood‐stage inhibitory activity of 26 hybrid compounds was evaluated against mixed‐stage culture (asynchronize) of human malarial parasite P. falciparum, Pf 3D7 at different concentrations ranging from 25.0 µg/mL to 0.78 µg/mL using SYBR 1 green assay, with IC50 values determined after 48 h of treatment based on the drug‐response curves. Two potent compounds (11 and 10), with 2‐Br and 2,6‐diCl substitutions, showed pronounced activity with IC50 values of 5.4 µg/mL and 5.6 µg/mL, whereas others displayed varied activity with IC50 values ranging from 7.0 µg/mL to 22.0 µg/mL. Both 11 and 10 showed greater susceptibility towards mature‐stage trophozoites than ring‐stage parasites. The hemolytic and in vitro cytotoxicity assays revealed that compounds 11 and 10 did not cause any toxic effects on host red blood cells (uninfected), human‐derived Mo7e cells, and murine‐derived BA/F3 cells. The in vitro observations are consistent with the in silico studies using P. falciparum‐dihydrofolate reductase, where 11 and 10 showed a binding affinity of −10.4 Kcal/mol. This is the first report of the hybrid scaffold, 4‐nitrobenzenesulfonamide chalcones, demonstrating its potential as an anti‐plasmodial agent. [ABSTRACT FROM AUTHOR]

The future of therapy for neurodegenerative diseases (NDs) relies on new strategies targeting multiple pharmacological pathways. Our research led to obtaining the compound AR71 [(E)-3-(3,4,5-trimethoxyphenyl)-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)prop-2-en-1-one], which has high affinity for human H3R (Ki = 24 nM) and selectivity towards histamine H1 and H4 receptors (Ki > 2500 nM), and showed anti-inflammatory activity in a model of lipopolysaccharide-induced inflammation in BV-2 cells. The presented tests confirmed its antagonist/inverse agonist activity profile and good metabolic stability while docking studies showed the binding mode to histamine H1, H3, and H4 receptors. In in vitro tests, cytotoxicity was evaluated at three cell lines (neuroblastoma, astrocytes, and human peripheral blood mononuclear cells), and a neuroprotective effect was observed in rotenone-induced toxicity. In vivo experiments in a mouse neuropathic pain model demonstrated the highest analgesic effects of AR71 at the dose of 20 mg/kg body weight. Additionally, AR71 showed antiproliferative activity in higher concentrations. These findings suggest the need for further evaluation of AR71's therapeutic potential in treating ND and CNS cancer using animal experimental models. [ABSTRACT FROM AUTHOR]

Objectives: This work investigated the acute antinociceptive effect of a synthetic chalcone, 4-dimethylamino chalcone (DMAC), as well as its effects on vincristine-induced peripheral neuropathy (VIPN) in mice. Methods: The inhibitory activity of myeloperoxidase was assessed by measuring HOCl formation. Formalin and hot plate tests were used to study the acute antinociceptive effect of DMAC. VIPN was induced through the administration of vincristine sulphate (0.1 mg/kg, i.p., 14 days). Then, DMSO, DMAC (10 or 30 mg/kg; i.p.), or pregabalin (10 mg/kg, i.p.) were administered for 14 consecutive days. Thermal hyperalgesia and mechanical allodynia were evaluated before and after VIPN induction and on days 1, 3, 7, and 14 of treatment. Neurodegeneration and neuroinflammation were assessed through immunohistochemistry for NF200, iNOS, and arginase-1 within the sciatic nerve. Key findings: DMAC inhibited myeloperoxidase activity in vitro and presented an acute antinociceptive effect in both formalin and hot plate tests, with the involvement of muscarinic and opioid receptors. Treatment with 30 mg/kg of DMAC significantly attenuated thermal hyperalgesia and mechanical allodynia and prevented macrophage proinflammatory polarisation in VIPN mice. Conclusions: Our results show that DMAC, acting through different mechanisms, effectively attenuates VIPN. [ABSTRACT FROM AUTHOR]

In this research, we conducted the synthesis of derivatives (2a-c) derived from 4-fluoro-3- methylacetophenone (FMAP) (1) using aldol condensation with substituteddibromobenzaldehydes (a-c). The condensation process occurred in ethanol with the presence of a base, leading to the creation of chalcone derivatives (2a-c). These chalcones serve as crucial intermediates for the production of a diverse array of heterocyclic products. Upon reaction with hydrazine, pyrazol derivatives (3a-c) were obtained, while the use of hydroxylamine hydrochloride resulted in the formation of isoxazole (4a-c). Additionally, the reaction with urea produced oxazine derivatives (5a-c). We characterized all these compounds using spectral techniques, monitoring their reactions through TLC and measuring melting points. Subsequently, we assessed the biological activity of these compounds against two distinct bacterial strains. [ABSTRACT FROM AUTHOR]

Deriving a molecule (1) and its derivative (2) is the focus of the present study, and the different entities are to be compared and contrasted. Employing microwave as an assisting unit, the synthesis of (E)-3-(2,5-dimethoxy)-1-(4-methylthiophenyl)prop-2-en-1-one (1) was conducted using the relevant ketones and aldehydes. Starting from analogue (1), cyclization reaction by implementing the reflux method being used to yield pyrazoline derivative (2). These compounds underwent a preliminary characterization through IR spectroscopy. Together, the Auxiliary scans were performed spending the 6-311++G(d,p)/B3LYP method. Geometry of fully optimized structure with their binding informations, orbitals nature in molecules, electrostatic locations, values of dipole moments and atomic charges designed Mulliken’s were anticipated. From these values, the reactive sites, molecules ability to accept or release a electron tendency, global descriptive parameters are noted. In addition to these studies, the pharmokinetical behaviours are predicted by pkCSM and SwissADME tools. Further, the anti-inflammatory behaviour of molecules 1 and 2 are projected by molecular docking method with COX-II enzyme (pdb id : 3LN1). The docking interactions are better for both molecules and significantly important when compared with standard. [ABSTRACT FROM AUTHOR]

This research Account describes the development of chiral organocatalysts, focusing on diphenyl-2-pyrrolidinemethanol and its derivatives as valuable tools in asymmetric transformations. The research also includes the discovery of a novel anionic Si→C alkyl migration method, which has been developed into a one-pot procedure for synthesizing (E)-chalcones from hydroxyamide and N , N -diethylcarbamates. The findings underscore the potential of sulfide and silicon as valuable reagents for organic synthesis and emphasize the importance of exploring new reaction pathways and mechanisms to discover novel synthetic methods. 1 Introduction 2 Synthesis of 2 and Sulfur Reagent as Chiral Lewis Acid 3 Sulfur/Selenium Reagent as Chiral Lewis Base 4 Anionic Si→C Alkyl Migration 5 Conclusion [ABSTRACT FROM AUTHOR]

Molecular dynamics (MD) simulation is an in silico method used in the biomolecular level of research to study how the protein interacts with the target with time. It provides a detailed information of the protein dynamics and ligand structure with the crucial amino acid interactions. Monoamine oxidase B (MAO−B) is a crucial isoenzyme responsible for the catalyses of oxidative deamination of various biogenic amines in the brain and peripheral tissues. The selective inhibitors of MAO−B are considered as the management of symptoms of neurodegenerative disorders like Alzheimer's disease(AD) and Parkinson disease(PD). Recently the structural scaffolds containing chalcones, coumarins and chromones derived candidates shown potent, selective, competitive and reversible type of MAO−B inhibitors. The structural similarities between the above scaffolds can produce almost similar type of interactions in the inhibitor binding cavity of MAO−B. Numerous molecular simulation reports were supported by the above mentioned fact. The current review focus on the last ten year molecular dynamics report of chalcones, coumarins and chromones towards MAO−B inhibition. The review also focuses on the software details used in the MD dynamics simulation and the structural requirement from each class of compound for the recognition of MAO−B inhibitory activity. [ABSTRACT FROM AUTHOR]

The document "Natural Bioactive Compounds and Human Health" provides an overview of the field of natural bioactive compounds and their potential benefits for human health. It discusses the structural diversity and mechanisms of action of these compounds, as well as advancements in extraction and characterization techniques. The document explores the therapeutic applications of natural bioactive compounds in chronic diseases, metabolic disorders, infectious diseases, and cancer. It also mentions emerging trends and future directions in the field, such as synergistic interactions and computational approaches. The document includes a list of specific contributions from studies that have investigated the bioactive properties of different natural compounds, covering topics such as antioxidant, anti-inflammatory, anticancer, and antimicrobial activities. It concludes with a declaration of no conflicts of interest and acknowledges the contributions of the authors and reviewers. This document is a compilation of research articles published in the journal Molecules, which explore the chemical composition and therapeutic properties of natural compounds derived from plants and other sources. [Extracted from the article]

Non-enzyme-catalyzed thiol addition onto the α,β-unsaturated carbonyl system is associated with several biological effects. Kinetics and diastereoselectivity of non-enzyme catalyzed nucleophilic addition of reduced glutathione (GSH) and N-acetylcysteine (NAC) to the six-membered cyclic chalcone analogs 2a and 2b were investigated at different pH values (pH 3.2, 7.4 and 8.0). The selected compounds displayed in vitro cancer cell cytotoxicity (IC50) of different orders of magnitude. The chalcones intrinsically reacted with both thiols under all incubation conditions. The initial rates and compositions of the final mixtures depended both on the substitution and the pH. The stereochemical outcome of the reactions was evaluated using high-pressure liquid chromatography with UV detection (HPLC-UV). The structures of the formed thiol-conjugates and the retro-Michael products (Z)-2a and (Z)-2b were confirmed by high-pressure liquid chromatography-mass spectrometry (HPLC-MS). Frontier molecular orbitals and the Fukui function calculations were carried out to investigate their effects on the six-membered cyclic analogs. Data were compared with those obtained with the open-chain (1) and the seven-membered (3) analogs. The observed reactivities do not directly relate to the difference in in vitro cancer cell cytotoxicity of the compounds. [ABSTRACT FROM AUTHOR]

Ovarian cancer ranks among the most severe forms of cancer affecting the female reproductive organs, posing a significant clinical challenge primarily due to the development of resistance to conventional therapies. This study investigated the effects of the chalcone derivative 1C on sensitive (A2780) and cisplatin-resistant (A2780cis) ovarian cancer cell lines. Our findings revealed that 1C suppressed cell viability, induced cell cycle arrest at the G2/M phase, and triggered apoptosis in both cell lines. These effects are closely associated with generating reactive oxygen species (ROS). Mechanistically, 1C induced DNA damage, modulated the activity of p21, PCNA, and phosphorylation of Rb and Bad proteins, as well as cleaved PARP. Moreover, it modulated Akt, Erk1/2, and NF-κB signaling pathways. Interestingly, we observed differential effects of 1C on Nrf2 levels between sensitive and resistant cells. While 1C increased Nrf2 levels in sensitive cells after 12 h and decreased them after 48 h, the opposite effect was observed in resistant cells. Notably, most of these effects were suppressed by the potent antioxidant N-acetylcysteine (NAC), underscoring the crucial role of ROS in 1C-induced antiproliferative activity. Moreover, we suggest that modulation of Nrf2 levels can, at least partially, contribute to the antiproliferative effect of chalcone 1C. [ABSTRACT FROM AUTHOR]

Saprolegnia sp. is a pathogenic oomycete responsible for severe economic losses in aquaculture. To date, there is no treatment for its control that is effective and does not pose a threat to the environment and human health. In this research, two dihydrochalcones 1 and 2, and three chalcones 3–5, isolated from the resinous plant Adesmia balsamica, as well as their synthesized oxyalkylated derivatives 6–29 already reported and a new synthesized series of oxyalkylchalcones 30–35, were evaluated for their anti-saprolegnia activity and structure–activity relationship as potential control and treatment agents for strains of Saprolegnia parasitica and S. australis. Among the molecules tested, natural 2′,4′-dihydroxychalcone (3) and new oxyalkylchalcone 34 were the most potent antisaprolegnia agents against both strains, even with better results than the commercial control bronopol. On the other hand, the structure–activity relationship study indicates that the contributions of steric and electrostatic fields are important to enhance the activity of the compounds, thus the presence of bulky substituents favors the activity. [ABSTRACT FROM AUTHOR]

Inflammation is a physiological process that involves a variety of inflammatory mediators such as PGE2, Nitric oxides, PLA2 etc., blocking these mediators could be helpful in designing and development of promising anti‐inflammatory compounds. Non‐steroidal anti‐inflammatory drugs (NSAIDs) have been used for the treatment of inflammatory‐related disorders via variety of pathways that include inhibition of COX‐1, COX‐2, LOX, NO etc. Chalcone derivatives, characterized by their unique chemical structure, have emerged as potential candidates for modulating inflammatory pathways. Literature suggested that modifications in chalcone derivatives by targeting different molecular targets could leads to the development of potential anti‐inflammatory agents. In this review, we have summarised representative chalcone derivatives against different anti‐inflammatory targets and discussed their structure‐activity relationship along with relevant data. [ABSTRACT FROM AUTHOR]

This work includes the synthesis of new pyrazoline derivatives 6-20 over two steps. The first step included a condensation between vanillin and various aromatic ketones (acetophenone, p-nitroacetophenone, p-chloroacetophenone, pbromoacetophenone, and 2-acetylnaphthalene) to provide the corresponding chalcone derivatives 1-5 in high yields (up to 93%). The second step involved a reaction of 1- 5 with hydrazine hydrate, phenyl hydrazine, and p-nitrophenyl hydrazine, which gave the desired products 6-20 in yields ranging from 60 to 85%. The structures of the prepared compounds were confirmed by FT-IR and 1H NMR spectroscopy. A few of the produced compounds were tested for antibacterial and antioxidant properties. [ABSTRACT FROM AUTHOR]

Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful tools in analytical chemistry. An important step in the analysis of NMR data is the assignment of resonance frequencies to the corresponding atoms in the molecule being investigated. The traditional approach considers the spectrum's characteristic parameters: chemical shift values, internuclear couplings, and peak intensities. In this paper, we show how to support the process of assigning a series of spectra of similar organic compounds by using temperature coefficients, that is, the rates of change in chemical shift values associated with given changes in temperature. [ABSTRACT FROM AUTHOR]

The main building blocks for the production of flavonoids and iso-flavonoids are chalcones. Chalcones are α, β-unsaturated carbonyl compounds containing three carbons. The condensation products of aromatic aldehydes with acetophenones in the presence of a catalyst are called chalcones. Numerous techniques and plans have been documented for the synthesis of these substances. Aldol condensation and Claisen–Schmidt condensation continue to hold a prominent position among all. Chalcones and their derivatives have a broad range of pharmacological activities due to presence of reactive α,β-unsaturated carbonyl group. Numerous chalcone-heterocycle hybrids seem to show promise as potential medication candidates based on a review of the literature because of their comparable or better activity than the standards. As a result, the creation and development of novel, highly effective therapeutic medications based on previously established techniques may benefit from this review. [ABSTRACT FROM AUTHOR]