Design, synthesis, and pharmacology of some oxadiazole and hydroxypyrazoline hybrids bearing thiazoyl scaffold: antiproliferative activity, molecular docking and DNA binding studies.

A series of oxadiazole () and hydroxypyrazoline derivatives () incorporating thiazole were synthesized and characterized by spectral analysis (H-NMR, C-NMR, Mass, and FT-IR). The synthesized compounds were screened for their cytotoxicity against MDA-MB231 and HT-29 human cell lines. Conjugates , , , , , , , and exhibited significant antiproliferative activity on both MDA-MB231 and HT-29 cell lines. Flow cytometric analysis reveals that, arrests both cells lines at phase whereas induced G0/G1 arrest only in the HT-29 cells. Furthermore, Computational interaction studies of and exhibited its capacity of being a plausible CDK2 and BCL-2 inhibitor respectively. In addition, DNA binding of the synthesized compounds and DNA docking of and demonstrated the ability to interact with DNA. Compounds and causes' remarkable growth inhibition of MDA-MB231 and HT-29 cells but compound was considerably effective against HT-29 cells. Overall these compounds can be practiced for further drug development.