Novel saccharin analogs as promising antibacterial and anticancer agents: synthesis, DFT, POM analysis, molecular docking, molecular dynamic simulations, and cell-based assay

Novel saccharin analogs as promising antibacterial and anticancer agents: synthesis, DFT, POM analysis, molecular docking, molecular dynamic simulations, and cell-based assay

Saccharine is a pharmacologically significant active scaffold for various biological activities, including antibacterial and anticancer activities. Herein, saccharinyl hydrazide (1) was synthesized and converted into 2-[(2Z)-2-(1,1-dioxo-1,2-dihydro-3H-1λ6,2- benzothiazole-3-ylidene) hydrazinyl] ace...

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Bibliographic Details
Main Authors: Magda H. Abdellattif, Ahmed Elkamhawy, Mohamed Hagar, Taibi Ben Hadda, Wesam S. Shehab, Wael Mansy, Amany Belal, M. M. H. Arief, Mostafa A. Hussien
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-10-01
Series:Frontiers in Pharmacology
Subjects:
saccharinyl hydrazide
DFT
docking
POM analyses
pharmacophore sites
MD
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2022.958379/full

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