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Quorum sensing, an important process of bacterial communication, is involved in the development of complex behavior and expression of virulence factors that become important due to its key role in infection process. In this manuscript, docking studies were used as a preliminary screening to identify main interactions between LuxR receptor (CviR) of Chromobacterium violaceum as model and N‐acyl L‐homoserine lactones. Thus, following this approach, a library of imidazo[1,2‐a]pyridines bearing carboxamide and urea moieties was designed, evaluated on this in silico model previously validated, and synthesized to generate new potential quorum sensing inhibitors. The present article summarizes survey to develop these new molecules with potential biological activity, based on interaction analysis ligand‐receptor. [ABSTRACT FROM AUTHOR]

A practical synthesis of 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2(1 H)-one is described that starts from 2-chloro-4-(methylamino)nicotinaldehyde. The dihalo compound then undergoes sequential, site-selective Suzuki-Miyaura cross-coupling reactions to afford highly functionalized 1,6-naphthyridones in good yields. [ABSTRACT FROM AUTHOR]

cis-Stilbenes were synthesized from trans-cinnamic acids, involving ethylenic-bond bromination and a subsequent one-pot microwave-promoted stereoselective debrominative decarboxylation-Suzuki cross-coupling strategy. This sequence represents a useful way to prepare a variety of combretastatin A-4 derivatives. [ABSTRACT FROM AUTHOR]

A seven-step synthesis of (2E,4E)-5-[4-hydroxy-3-methoxyphenyl]penta-2,4-dienoic acid from ferulic acid was developed. The use of a natural by-product found in rice bran as a raw material provided the ferulic acid vinylogous in an overall high yield. This compound will be useful for the preparation of a wide variety of avenalumic carboxamide derivatives. [ABSTRACT FROM AUTHOR]

Abstract: An original strategy combining a Hunsdiecker-type bromodecarboxylation and a Suzuki cross-coupling reaction starting from various cinnamic acids has been developed in one-pot and under microwave heating to give trans-1,2-diarylethenes in few minutes. [Copyright &y& Elsevier]

Abstract: Two sterol families have been synthesized: the first one is nitrogenous sterols containing amino, N-hydroxyimino or cyano group and the second one is oxysterols such as ketosterol and hydroxysterols. These compounds were then evaluated in vitro against Leishmania donovani promastigotes and Trypanosoma brucei brucei trypomastigotes. The most active compounds against L. donovani promastigotes were 7β-aminomethylcholesterol and 7α,β-aminocholesterol (IC50 in a range from 1 to 3 μM, pentamidine: 2.8 μM). These compounds were active on intramacrophage amastigotes with IC50 of 1.3 μM. Such an activity justifies further in vivo antileishmanial evaluation. Against T. b. brucei, (24R,S)-24-hydroxy-24-methylcholesterol (MEC, 12.5 μM) was the most active compound from these series. [Copyright &y& Elsevier]

Pim kinases (proviral integration site for Moloney murine leukemia virus kinases) are overexpressed in various types of hematological malignancies and solid carcinomas, and promote cell proliferation and survival. Thus, Pim kinases are validated as targets for antitumor therapy. In this context, our combined efforts in natural product-inspired library generation and screening furnished very promising dibenzo[b,d]furan derivatives derived from cercosporamide. Among them, lead compound 44 was highlighted as a potent Pim-1/2 kinases inhibitor with an additional nanomolar IC50 value against CLK1 (cdc2-like kinases 1) and displayed a low micromolar anticancer potency towards the MV4-11 (AML) cell line, expressing high endogenous levels of Pim-1/2 kinases. The design, synthesis, structure–activity relationship, and docking studies are reported herein and supported by enzyme, cellular assays, and Galleria mellonella larvae testing for acute toxicity. [ABSTRACT FROM AUTHOR]

The article presents a scientific report on the structure of 1,2,3-Trimethoxy-4-[(E)-2-phenyl-vinyl]benzene and (E,E)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene. It explains how intermolecular interstatic reactions contribute to deviation in stilbene (I). The report mentions that products such as dyes and optics are derived from stilbenes. In relation to this, cis-stilbenes when combined with combretastatin derivatives are used against a wide range of cancers.

Fourteen arylsemicarbazone derivatives were synthesized and evaluated in order to find agents with potential anticancer activity. Cytotoxic screening was performed against K562, HL-60, MOLT-4, HEp-2, NCI-H292, HT-29 and MCF-7 tumor cell lines. Compounds 3c and 4a were active against the tested cancer cell lines, being more cytotoxic for the HL-60 cell line with IC50 values of 13.08 μM and 11.38 μM, respectively. Regarding the protein kinase inhibition assay, 3c inhibited seven different kinases and 4a strongly inhibited the CK1δ/ε kinase. The studied kinases are involved in several cellular functions such as proliferation, migration, cell death and cell cycle progression. Additional analysis by flow cytometry revealed that 3c and 4a caused depolarization of the mitochondrial membrane, suggesting apoptosis mediated by the intrinsic pathway. Compound 3c induced arrest in G1 phase of the cell cycle on HL-60 cells, and in the annexin V assay approximately 50% of cells were in apoptosis at the highest concentration tested (26 μM). Compound 4a inhibited cell cycle by accumulation of abnormal postmitotic cells at G1 phase and induced DNA fragmentation at the highest concentration (22 μM). [ABSTRACT FROM AUTHOR]

The article presents chemical equations related to the article "Exploration of Versatile Reactions on 2-Chloro-3-nitroimidazo[1,2-a]pyridine: Expanding Structural Diversity of C2- and C3-Functionalized Imidazo[1,2-a]pyridines" by A. Tonnerre et al. published in the "Tetrahedron Letters" in 2013.

Background: Considering the need for the development of new antitumor drugs, associated with the great antitumor potential of thiophene and thiosemicarbazonic derivatives, in this work we promote molecular hybridization approach to synthesize new compounds with increased anticancer activity., Objective: Investigate the antitumor activity and their likely mechanisms of action of a series of N-substituted 2-(5-nitro-thiophene)-thiosemicarbazone derivatives., Methods: Methods were performed in vitro (cytotoxicity, cell cycle progression, morphological analysis, mitochondrial membrane potential evaluation and topoisomerase assay), spectroscopic (DNA interaction studies), and in silico studies (docking and molecular modelling)., Results: Most of the compounds presented significant inhibitory activity; the NCIH-292 cell line was the most resistant, and the HL-60 cell line was the most sensitive. The most promising compound was LNN-05 with IC50 values ranging from 0.5 to 1.9 µg.mL-1. The in vitro studies revealed that LNN-05 was able to depolarize (dose-dependently) the mitochondrial membrane, induceG1 phase cell cycle arrest noticeably, promote morphological cell changes associated with apoptosis in chronic human myelocytic leukaemia (K-562) cells, and presented no topoisomerase II inhibition. Spectroscopic UV-vis and molecular fluorescence studies showed that LNN compounds interact with ctDNA forming supramolecular complexes. Intercalation between nitrogenous bases was revealed through KI quenching and competitive ethidium bromide assays. Docking and Molecular Dynamics suggested that 5-nitro-thiophene-thiosemicarbazone compounds interact against the larger DNA groove, and corroborating the spectroscopic results, may assume an intercalating interaction mode., Conclusion: Our findings highlight 5-nitro-thiophene-thiosemicarbazone derivatives, especially LNN-05, as a promising new class of compounds for further studies to provide new anticancer therapies., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

A series of (imidazo[1,2-a]pyrazin-6-yl)ureas were synthesized through 6-aminoimidazo[1,2-a]pyrazine as a key intermediate. 1-(Imidazo[1,2-a]pyrazin-6-yl)-3-(4-methoxy - phenyl)urea displayed a cytostatic activity against a non-small cell lung cancer cell line and was chosen for further mechanistic studies. Growth kinetics highlighted a selective dose-dependent response of P53-mutant NSCLC-N6-L16 cell line and overexpression of TP53 gene induced by this compound. These pharmacological data suggest a promising reactivation of p53 mutant in NSCLC-N6-L16 cell line., (Copyright© 2016 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.)

The stilbene derivative 1,2,3-trimethoxy-4-[(E)-2-phenylvinyl]benzene, C(17)H(18)O(3), (I), and its homocoupling co-product (E,E)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene, C(22)H(26)O(6), (II), both have double bonds in trans conformations in their conjugated linkages. In the structure of stilbene (I), the aromatic rings deviate significantly from coplanarity, in contrast with coproduct (II), the core of which is rigorously planar. The deviation in stilbene (I) seems to be driven by intermolecular electrostatic interactions. Diene (II) sits on a crystallographic inversion centre, which bisects the conjugated linkage.

A feasibility and chemical study of the coupling conditions of L-ascorbic acid with ferulic acid derivatives are described on the basis of the known synergistic effects of mixtures of various antioxidants. Novel L-ascorbic ferulic hybrids linked at the C-3 hydroxyl group were prepared with the aim to protect the alcohol function and the enediol system.