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Cancer remains a complex global threat causing widespread deaths. Developing effective anticancer agents despite advancements still remained challenging. In this work it is designed and synthesised therapeutically active anticancer agents based on coumarin‐quinazolinone 5(a–j) through nucleophilic substitution reaction of 4‐bromomethyl coumarin derivatives with 6,7‐bis(2‐methoxyethoxy)quinazolin‐4(3H)‐one and characterised by using FTIR, 1HNMR, 13C NMR and LCMS analysis. The compounds 5(a–j) were screened for in vitro anticancer activity against A‐549 lung cancer cell lines and MDA‐MB‐231 cell lines. Compound 5i emerged as the most promising antiproliferative candidate demonstrating an IC50 value of 7.11 μM against A‐549 cell lines. Meanwhile compound 5g found as a hit candidate in the case of MDA‐MB‐231, exhibiting an IC50 of 5.12 μM, surpassing the potency of the standard drug doxorubicin (IC50 5.89 μM). Further, the safety profile of coumarin‐quinazolinone scafolds (5a–j) were examined for their cytotoxicity towards human embryonic kidney cell lines (HEK293). It was found that the most active compounds exhibited good safety profile towards human embryonic cell lines. Additionally, molecular docking investigations confirmed that compounds 5(a–j) exhibited elevated docking scores and demonstrated favourable interactions with the HER2 (PDB:3PP0) and VEGFR2 (PDB:4ASE). Furthermore, we investigated the ADME properties using the SwissADME tool. [ABSTRACT FROM AUTHOR]

G-Quadruplex (G4) structures play vital roles in many biological processes; consequently, they have been implicated in various human diseases like cancer, Alzheimer's disease etc. The selective detection of G4 DNA structures is of great interest for understanding their roles and biological functions. Hence, development of multifunctional fluorescent probes is indeed essential. In this investigation, we have synthesized a quinolinium based dual application probe (QnMF) that presents molecular rotor properties. This dual application molecular rotor is able to detect selectively antiparallel G4 sequences (22AG in 100 mM NaCl) through a turn-on response over other G4 topologies. The QnMF also contains a distinct fluorine-19 that undergoes a significant chemical shift in response to microenvironmental changes around the molecule when bound to G4 structures. The probe QnMF exhibits significantly brighter fluorescence emissions in glycerol (ε × φ = 2800 cm−1 M−1) and relatively less brighter fluorescence emissions in methanol (ε × φ = 40.5 cm−1 M−1). The restricted rotation inherent property of the QnMF molecular rotor is responsible for brighter fluorescence and leads to enhancement in the fluorescence upon binding to the G4 structure. Overall, the probe's dual detection method makes it useful for monitoring the G4 structures that are abundant and plays a vital role in living organisms. [ABSTRACT FROM AUTHOR]

A series of new Coumarin hydrazone oxime scaffolds were synthesised as potential anti‐TB agents. The structures of the scaffolds were confirmed by spectroscopic and analytical techniques. X‐ray crystallography confirmed the structure of compound 6‐methyl‐4‐((((Z)‐((E)‐3‐(2‐phenylhydrazono)butan‐2‐ylidene)amino)oxy)methyl)‐2H‐chromen‐2‐one (5a). The coumarin hydrazone oxime scaffolds were tested in‐vitro against the Mycobacterium tuberculosis H37Rv strain, and Vero cells were used to assess cytotoxicity. Compound 5b was obtained as the hit candidate, exhibiting MIC 0.78 μg/mL, showing more potent anti‐TB activity than Rifamycin and comparable activity to Isoniazid. There was minimal cytotoxicity observed against Vero cells for the most active compounds, indicating a good safety‐profile.In addition, the most diligent compound 5b demonstrated substantial binding interactions at the PDB:4DQU enzyme's active site and also displayed greater C‐score value than that of 4DQU ligand which validates the observed results. [ABSTRACT FROM AUTHOR]

A series of novel acridine-thiazole bridged coumarin derivatives 3a–3i were designed, synthesized and subjected for their in-vitro antiproliferative activity on human breast cancer (MDA-MB-231), lung cancer (A-549) and colon cancer (HT29) cell lines. In case of human breast (MDA-MB-231) cell line, among the nine screened compounds, 3d, 3c, 3g, and 3a exhibited moderate to good antiproliferative activity with IC50 values in the range 14.06–8.03 µM concentration. The compound 3d exhibited higher activity with IC50 value 8.03 µg/mL, compared to 3c with IC50 value of 12.03 µg/mL. Whereas, compounds 3g, 3b, 3h, 3a, and 3i also exhibited significant cytotoxicity with IC50 values in the range 05.18–18.17 µM concentration. Further, the compound 3g exhibited distinct activity with IC50 value 05.18 µg/mL, followed by compound 3b with IC50value of 09.09 µg/mL for A-549 cancer cell line. However, for HT29 cell line all of the compounds showed significantly lesser activity when compared with standard drug Cisplatin. In addition, the synthesized compounds were screened for their anti-TB activity and its cytotoxicity, the compound 3g exhibited excellent antitubercular activity with MIC of 0.78 µg/mL, while the compound 3b exhibiting MIC of 1.56 µg/mL with the highest safety percentage survival of 72% and 78%. [ABSTRACT FROM AUTHOR]

In the present research work, biodiesel is produced by in-situ technique using directly the dried seeds of Leonotis nepetifolia. Herein, methanol plays a dual role, as solvent for extraction of oil from the seeds of Leonotis nepetifolia and as a reactant in the process of alcoholysis in presence of KOH catalyst. The influence of seed to methanol molar ratio, reaction time, temperature and catalyst loading is investigated. The result showed that the maximum yield of about 96% is obtained with 1: 393 molar ratios of seed oil to methanol at 60°C, using 3.0% (w/w) KOH catalyst for 100 min. Biodiesel parameters are experimentally evaluated and calculated by using various mathematical models. The experimentally determined and empirically calculated fuel properties of Leonotis nepetifolia methyl esters are found comparable with the existing biodiesels and petro-diesel and satisfy the ASTM and EN limits. This study reveals that the FAMEs produced by the nonedible seeds of Leonotis nepetifolia using in-situ method of transesterification can be used as an alternative to diesel fuel. [ABSTRACT FROM AUTHOR]