Synthesis of Novel Thiazolidine-4-One Derivatives, Their Cytotoxicity, Antifungal Properties, Molecular Docking and Molecular Dynamics.

A new design of thiazolidin-4-one derivatives were evaluated for their cytotoxicity on CHO (Chinese Hamster ovary cells), SKOV3 (Human Ovarian cancer) and HeLa (Human cervical) cancer cell lines. All these compounds exhibited moderate cytotoxicity against CHO cells but showed potent anticancer activity against both SKOV3 and HeLa cell lines. A high antiproliferative activity of compound (Va), (Vd) and (Vm) against SKOV3 and (Va), (Vm) and (Vq) against HeLa cell lines were observed. It is interesting to note that (Vq) and (Vc) are comparatively lesser toxic to the normal CHO cells but highly cytotoxic against HeLa and SKOV3 cells. In the antimicrobial activity (Vb), (Vc) and (Vq) compounds displayed a moderately antifungal activity against Aspergillus niger and A. flavus at 150 μg/mL concentration. Moreover, molecular docking and molecular dynamics analysis over 100 ns with target FGFR2 (4j96): (Vq) retained good acceptable profiles for stability of this complex. Based on these bioactivity studies, it is indicated that (Vb) and (Vq) compounds can be potential substitutes for the treatment of ovarian and cervical cancer respectively because of their high specificity to both types of ovarian and cervical cancers with minimal toxicity to normal cells. [ABSTRACT FROM AUTHOR]