ACTA Pharmaceutica Sciencia 2017 , Vol 55 , Num 3
The Synthesis, Antimicrobial Activity Studies, and Molecular Property Predictions of Novel Benzothiazole-2-Thione Derivatives
Barkın Berk 1 Yesim Altas Tahirovic 2 Emre Fatih Bülbül 1 Sevde Nur Biltekin 1
1 İstanbul Medipol University, School of Pharmacy, Kavacık Mah. Ekinciler Cad. No.19 Kavacık Kavşağı, TR-34810, Beykoz, İstanbul, Turkey
2 Emory University, Chemistry Department, 1515 Dickey Drive, Atlanta, GA 30322, USA
DOI : 10.23893/1307-2080.APS.05516 Benzothiazoles and 2-mercaptobenzothiazoles are important classes of bioactive organic scaffolds possessing antibacterial, antifungal, antitubercular, antiinflammatory, antidiabetic, and antimalarial properties. In recent years, prediction of druglikeness, molecular, absorption, distribution, metabolism, and excretion (ADME) properties using in silico techniques has become a standard procedure for the evaluation of molecules in terms of their potential clinical use. In this study, compounds structured 6-benzoyl-3-substitutedmethylbenzo[d]thiazole-2(3H)-thione were synthesized using the Mannich reaction starting from 2-mercaptobenzothiazole. The antibacterial and antifungal activities of these compounds were determined against Staphylococcus aureus, Escherichia coli, Enterococcus faecalis, Pseudomonas aeruginosa, Candida albicans, Candida krusei, and Candida parapisilosis using a broth microdilution method. An additional analysis was undertaken using the in silico technique to predict the drug-likeness, molecular, and ADME properties of these molecules. Among all the compounds, respectively, Compounds 1-4 and 6-11 exhibited good minimum inhibition concentration values against Staphylococcus aureus and Candida species with promising predicted properties. Keywords : Benzothiazole-2-thione, ADME, antifungal, Candida albicans, molecular properties, in silico

Istanbul Medipol University