Pharmacophore-based virtual screening, synthesis, biological evaluation, and molecular docking study of novel pyrrolizines bearing urea/thiourea moieties with potential cytotoxicity and CDK inhibitory activities

Pharmacophore-based virtual screening, synthesis, biological evaluation, and molecular docking study of novel pyrrolizines bearing urea/thiourea moieties with potential cytotoxicity and CDK inhibitory activities

In the current study, virtual screening of a small library of 1302 pyrrolizines bearing urea/thiourea moieties was performed. The top-scoring hits were synthesised and evaluated for their cytotoxicity against three cancer (MCF-7, A2780, and HT29) and one normal (MRC-5) cell lines. The results of the...

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Bibliographic Details
Main Authors: Ahmed M. Shawky, Nashwa A. Ibrahim, Mohammed A. S. Abourehab, Ashraf N. Abdalla, Ahmed M. Gouda
Format: Article
Language:English
Published: Taylor & Francis Group 2021-01-01
Series:Journal of Enzyme Inhibition and Medicinal Chemistry
Subjects:
pyrrolizine
urea derivatives
cytotoxicity
apoptosis
cell cycle
cdk-2
Online Access:http://dx.doi.org/10.1080/14756366.2020.1837124

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