ANTIOXIDANT, ANTICANCER AND MOLECULAR DOCKING STUDIESOF NOVEL 5-BENZYLIDENE SUBSTITUTED RHODANINE DERIVATIVES

Abstract

Objective: The primary objective was to study the in vitro antioxidant and anticancer evaluation of novel 5-benzylidene substituted rhodanine derivatives and molecular docking studies of the most active compounds with 3 different anticancer targets. Methods: Antioxidant potential of 5-benzylidene substituted rhodanine derivatives were studied by DPPH assay, anticancer evaluation was done by MTT assay and Computational evaluation were done using various softwares such as ACD Lab Chemsketch 12.0, molinspiration and Discovery Studio 2021. Results: Compound 3j exhibited the highest antioxidant activity with an IC50 value of 31.21. Other compounds 3b, 3d and 3f also showed moderate antioxidant potential. The Antioxidant study showed a good correlation with molecular docking studies. In vitro anticancer assay results showed that compound 3a has an IC50 value<62.5 against HeLa cell lines. All the other compounds showed only moderate activity. Out of the ten synthesized derivatives, compounds 3d and 3j showed good docking scores with 3 different anticancer targets. Conclusion: Ten novel rhodanine derivatives which has been studied can be developed into potent antioxidant and anticancer agents in future.