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Design, docking study and ADME prediction of Chalcone derivatives as potent Tubulin inhibitors | Abstract
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Journal of Computational Methods in Molecular Design

Abstract

Design, docking study and ADME prediction of Chalcone derivatives as potent Tubulin inhibitors

Author(s): Anwar P and Bobby S.P

A series of piperonal chacones bearing schiff base moiety were designed and docked in to colchicine binding site of tubulin using the podophyllotoxin-tubulin complex (PDB 1SA1) as template. Docking study reveals that few of the designed derivatives were found to have significant interaction with active site of the receptor. The derivatives with trimethoxyphenyl ring, amino phenyl & nitro phenyl ring were found to have maximum docking score. In silico ADME predictions of most promising derivatives were also performed and compared.