Group-based quantitative structure and activity relationship on benzothiazole derivatives for development of potent anti-cancer compounds

Authors

Amit S. Tapkir
Sohan S. Chitlange
Ritesh P. Bhole

Abstract

To develop potent anticancer compounds using benzothiazole scaffolds group-based quantitative structure and activity relationship (GQSAR) analysis was performed on 41 reported benzothiazole derivatives for identification of structural fragments. Benzothiazole dataset was fragmented into two fragments (R1 and R2). GQSAR models were generated using multiple linear regression. GQSAR analysis revealed the presence of hydrophobic groups on R1 will potentiate anticancer activity. The generated models are giving insight into the benzothiazole structural requirements which will be optimized for design of anticancer drugs.

Publisher

Faculty of Pharmaceutical Sciences, Chulalongkorn University

First Page

428

Last Page

432

Recommended Citation

Tapkir, Amit S.; Chitlange, Sohan S.; and Bhole, Ritesh P. (2021) "Group-based quantitative structure and activity relationship on benzothiazole derivatives for development of potent anti-cancer compounds," The Thai Journal of Pharmaceutical Sciences: Vol. 45: Iss. 5, Article 16.
Available at: https://digital.car.chula.ac.th/tjps/vol45/iss5/16