Akademik Veri Yönetim Sistemi
10. Uluslararası Bilimsel Araştırmalar Kongresi - Fen ve Mühendislik Bilimleri – (UBAK), Ankara, Türkiye, 11 - 12 Nisan 2021, ss.10-11
With the formula C4H4S, thiophene is in the class of heterocyclic compounds consisting of five-membered rings containing sulfur as heteroatoms. This group of organic compounds has many pharmacologically active molecules. Benzothiophenes, as a sulfur-containing heterocyclic family, contain highly stable aromatic compounds that exhibit important physicochemical properties. They display various biological/pharmacological activities such as anti-inflammatory, analgesic, antifungal, antidepressant etc. In this study, a new benzothiophene derivative was investigated for its antioxidant capacity by applying four tests (DPPH, ABTS, galvanoxyl, and phosphomolybdenum), all based on different working mechanisms. This new derivative was also tested for its possible inhibitory effects on human GSTP1-1, one of the phase II drug metabolizing enzymes that perform conjugation between glutathione and various substrates. ADME analyzes of the new benzothiophene derivative were examined with SwissADME and OSIRIS software. Benzothiophene derivative showed antioxidant capacity comparable to quercetin, especially in phosphomolybdenum trial. According to kinetic calculations, it exerted (full) uncompetitive inhibition on GSTP1-1 with Vmax: 1.5770 nmol/min/mg protein Km: 0.3530 mM and Ki: 16.7760 microM. In silico ADME analyzes predicted only a high risk for the reproductive system, in addition to a negative assessment of mutagenic, tumorigenic, and irritant, as well as a drug score of 0.12. Although it has the potential to be used as a drug active ingredient, especially as an antioxidant supplement or chemoresistance breaker, further studies are required by synthesizing different derivatives of this molecule.