Synthesis and Anticancer Evaluation of Disubstituted Benzimidazoles via One-Pot Telescopic Grinding Approach.

Autor: Das S; Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Vellore, 632014, India., Thansila PN; Chemistry Division, School of Advanced Sciences, Vellore Institute of Technology, Chennai, Tamil Nadu, India, 600027., Maiti B; Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Vellore, 632014, India., Padmaja RD; Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Vellore, 632014, India., Prathima TS; Chemistry Division, School of Advanced Sciences, Vellore Institute of Technology, Chennai, Tamil Nadu, India, 600027., Balamurali MM; Chemistry Division, School of Advanced Sciences, Vellore Institute of Technology, Chennai, Tamil Nadu, India, 600027., Chanda K; Department of Chemistry, Rabindranath Tagore University, Hojai, Assam, 782435, India.
Jazyk: angličtina
Zdroj: ChemMedChem [ChemMedChem] 2024 Dec 02; Vol. 19 (23), pp. e202400365. Date of Electronic Publication: 2024 Oct 26.
DOI: 10.1002/cmdc.202400365
Abstrakt: Benzimidazole compounds are known for their broad spectrum therapeutic potentials. A small library of benzimidazole derivatives were designed and synthesized via a one-pot telescopic grinding approach. The ability of these molecules as proposed anticancer agents were evaluated by their potential to bind to two important cancer pathway protein targets, human estrogen receptors and cyclin dependant kinases, 3ERT and 5FGK respectively. Further nucleic acid binding and reactive oxygen species (ROS) scavenging capacity being in the scope for anticancer potential evaluations, the ability of these molecules have been evaluated for the same. Further, to support the experimental and computational results, AI-assisted tools were employed to predict the anticancer activity (PASS) as well as to identify false positives (PAINS). Also, the druggability of the proposed compounds was evaluated by following their pharmacokinetic parameters - ADME.
(© 2024 Wiley-VCH GmbH.)
Databáze: MEDLINE
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