Integrative Strategies in Drug Discovery: Harnessing Genomics, Deep Learning, and Computer-Aided Drug Design DOI

Nizakat Ali,

Urooj Qureshi,

Asaad Khalid

и другие.

Computational Biology and Chemistry, Год журнала: 2025, Номер 119, С. 108530 - 108530

Опубликована: Май 30, 2025

Язык: Английский

Advanced strategies for screening and identifying RNA-targeted small molecules: Bridging therapeutic potential and innovation DOI Creative Commons

Zukela Ruzi,

Daxiong Han,

Kailibinuer Aierken

и другие.

Results in Chemistry, Год журнала: 2025, Номер unknown, С. 102305 - 102305

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

0

Novel Isatin-Chalcone Derivatives: Synthesis, Characterization and Evaluation for Antimicrobial and Anticancer Applications DOI Open Access
Marapatla Shiny, Girija Sastry Vedula

Asian Journal of Chemistry, Год журнала: 2025, Номер 37(6), С. 1449 - 1457

Опубликована: Май 27, 2025

A series of novel isatin-chalcone hybrids (IA-IM) were synthesized via a microwave-assisted method and evaluated for their antimicrobial, antifungal, antitubercular anticancer activities. The compounds characterized using spectroscopic techniques screened antibacterial activity against Staphylococcus aureus Escherichia coli, antifungal Candida albicans Aspergillus niger, Mycobacterium tuberculosis H37Rv cytotoxicity breast (MCF-7) cervical (HeLa) cancer cell lines. Compounds IK (4-NH2), IF (2-Cl) IL (2-F) exhibited potent activity, with zones inhibition (ZOI) comparable to or exceeding amikacin at higher concentrations. Against fungal strains, IM (4-NO2), (4-NH2) demonstrated significant approaching the efficacy fluconazole. In assays, ID (2-F), IE (3,4-OCH3), IG (4-Cl) showed sensitivity 12.5-25 µg/mL. Anticancer evaluations revealed that IH (4-Br), (3,4-OCH3) highly MCF-7 HeLa cells, IC50 values as low 6.53 ± 1.12 µM, while sparing normal HEK-293 cells. Structure-activity relationship (SAR) studies highlighted importance electron-donating groups (e.g. -NH2, -OCH3) halogen substitutions -Cl, -Br) in enhancing biological activity. These findings demonstrate potential multi-functional therapeutic agents, providing foundation further optimization development.

Язык: Английский

Процитировано

0

Integrative Strategies in Drug Discovery: Harnessing Genomics, Deep Learning, and Computer-Aided Drug Design DOI

Nizakat Ali,

Urooj Qureshi,

Asaad Khalid

и другие.

Computational Biology and Chemistry, Год журнала: 2025, Номер 119, С. 108530 - 108530

Опубликована: Май 30, 2025

Язык: Английский

Процитировано

0