Solvent solute interaction (IEFPCM model), Michael addition-based anticancer drug synthesis, FTIR, NMR, and UV–visible investigations of spirooxindole-pyranoindole (2AIPC) − in vitro and in silico anti-cancer activity
Journal of Molecular Liquids,
Год журнала:
2024,
Номер
405, С. 125064 - 125064
Опубликована: Май 19, 2024
Язык: Английский
Design, Synthesis and Antibacterial Activity of New Isatin-Based Schiff base Derivatives: Molecular Docking, POM analysis, In silico Pharmacokinetics and Identification of Antitumor Pharmacophore sites
Journal of Molecular Structure,
Год журнала:
2024,
Номер
unknown, С. 140508 - 140508
Опубликована: Окт. 1, 2024
Язык: Английский
Hirshfeld surface, fukui function, molecular docking, molecular dynamics investigation on human immunodeficiency virus-1 (HIV) organism with 2,6-dibromo-4-chloroaniline
Results in Chemistry,
Год журнала:
2024,
Номер
11, С. 101815 - 101815
Опубликована: Сен. 23, 2024
Язык: Английский
Spectral characterization, quantum chemical calculations and molecular dynamics investigation of 2,3-Dimethyl-N-[2-(Nitro)benzylidene] aniline targeting BRCA1 protein in cancer cell.
Journal of the Indian Chemical Society,
Год журнала:
2024,
Номер
unknown, С. 101483 - 101483
Опубликована: Ноя. 1, 2024
Язык: Английский