Synthesis, Molecular Docking, SwissADME Evaluation and Biological Activities of Novel Benzothiazole–Triazole Derivatives

Abstract

The present study was aimed to synthesize a series of novel 5-(1,3-benzthiazol-2-ylamino)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and to evaluate their invitro anti-inflammatory activity and in vitro on panel of 60 different human tumor cell lines derived from nine neoplastic cancer types at NCI. The compounds were
evaluated using inhibition of bovine serum albumin denaturation method have shown significant in-vitro anti-inflammatory activity. The findings of present study
clearly demonstrate that chloro functional group possess inhibition of bovine serum albumin denaturation capacity and has in-vitro anti-inflammatory activity. However
methoxy and dimethyl derivatives show mild to moderate in-vitro anti-inflammatory activity. The compounds were evaluated at single concentration of 10-5 M towards
the panel of 60 cancer cell lines derived from nine different cancer types: leukemia, lung, colon, CNS, melanoma, Ovarian, Renal, prostate and breast cancer.The
compound 7a,7b,7f shows moderate anticancer activity. structural assignments are based on spectroscopic data (FT-IR,
1HNMR, MASS spectra).