Anticancer heterocyclic hybrids: design, synthesis, molecular docking and evaluation of new thiazolidinone-pyrazoles
Author:
Shrivastava Neelima1, Khan Shah Alam2, Alam Mohammad Mumtaz1, Akhtar Mymoona1, Srivastava Apeksha1, Husain Asif1
Affiliation:
1. Department of Pharmaceutical Chemistry, School of Pharmaceutical Education and Research , Jamia Hamdard (Hamdard University) , New Delhi 110 062 , India 2. College of Pharmacy, National University of Science and Technology , PB 620, PC 130 , Muscat , Sultanate of Oman
Abstract
Abstract
In order to obtain potential anticancer agents, hybrid compounds have been synthesized by coupling thiazolidinone and pyrazole scaffolds. Among the synthesized compounds, 2-(1,3-diphenyl-1H-pyrazol-4-yl)-3-phenyl thiazolidin-4-one (4a) was found to be the most potent based on a docking (−9.307) and binding scores (−66.46), along with good ADME parameters. In vitro anticancer activity of compound 4a shows a maximum inhibition against lung cancer (NCI-H23) cell lines with a moderate inhibition rate of 31.01%. Molecular docking studies revealed that these hybrid compounds bind well to the active site of peroxisome proliferator-activated receptors-gamma (PPAR-gamma). Doxorubicin was used as a positive control. It can be concluded that 4a having pyrazole-thiazolidinone ring systems has the potential to be developed as an anticancer agent.
Publisher
Walter de Gruyter GmbH
Subject
General Chemistry
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