Synthesis, In Silico Study and Biological Evaluation of Novel Thiazolidine-4-One Derivatives as Anticancer Agents
Posted: 13 Feb 2020
Date Written: February 10, 2020
Thiazolidinones have anti-diabetic, anti-obesity and anticancer activity. Here from Literature survey, performing Pharmacophore and molecular modelling study suggested a new screening method for the preparation of newer molecular entities those remains active again for proposed target. During molecular modelling studies, interaction of proposed molecules with protein (PDB ID: 2QBS; 1.9 Å) was Asp 48, PTyr (phosphotyrosine) active site and interaction with hydrophobic site which is catalytic/peripheral site for providing selectivity. The aim of present study was to design novel thiazolidinone heterocycles by docking Maestro (v10.4, Schrodinger, LLC, NEW YORK) which gives anticancer activity. Based on the docking results, the retrieved molecules thiazolidine-4-one derivatives were synthesized for anticancer agent and characterized by IR, 1H NMR and Mass spectroscopic techniques. The synthesized compounds were evaluated by performing anticancer activity on MCF-7 cell line for breast cancer. All compounds showed good results especially compound PL-011, PL-014, PL-015 were give most inhibitory activity.
Keywords: Thiazolidinones, MCF-7, molecular modeling
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