Design and Antiproliferative and Antioxidant Activities of Furan-Based Thiosemicarbazides and 1,2,4-Triazoles: Their Structure-Activity Relationship and SwissADME Predictions

Abstract

Due to the limited number of drugs in current clinical use, the diverse biological applications of furan have encouraged the preparation of a wide variety of thiosemicarbazide and triazole derivatives for the purpose of developing new drug agents. In this study aimed to investigate the antiproliferative and antioxidant activities of some thiosemicarbazides (1-12) and 1,2,4-triazoles (13-24). Compound 15 (IC50: 8.81±0.28 μM) showed the highest antiproliferative activity against the cervical (HeLa) cancer cell line among the compounds. Compounds 15, 20, 21, and 22 of the 1,2,4-triazole derivatives (13-24) exhibited excellent antioxidant activity. Moreover, the physicochemical properties, pharmacokinetic properties, drug similarity, and medicinal chemistry properties of all synthesized products were calculated using SwissADME. In addition, the effect of the structure–activity relationships of the 1,2,4-triazole derivatives (13-24) on the results of antiproliferative and antioxidant activity assays was evaluated.