Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents
Alexander Zubenko,
Victor Kartsev,
Anthi Petrou,
Athina Geronikaki,
Marija Ivanov,
Jasmina Glamočlija,
Marina Soković,
Lyudmila Divaeva,
Anatolii Morkovnik,
Alexander Klimenko
Affiliations
Alexander Zubenko
North-Caucasian Zonal Research Veterinary Institute, 346406 Novocherkassk, Russia
Victor Kartsev
InterBioScreen, 85355 Moscow, Russia
Anthi Petrou
Faculty of Pharmacy, School of Health, Aristotle University, 54124 Thessaloniki, Greece
Athina Geronikaki
Faculty of Pharmacy, School of Health, Aristotle University, 54124 Thessaloniki, Greece
Marija Ivanov
Mycological Laboratory, Department of Plant Physiology, Institute for Biological Research “Siniša Stanković”, National Institute of Republic of Serbia, University of Belgrade, 11060 Belgrade, Serbia
Jasmina Glamočlija
Mycological Laboratory, Department of Plant Physiology, Institute for Biological Research “Siniša Stanković”, National Institute of Republic of Serbia, University of Belgrade, 11060 Belgrade, Serbia
Marina Soković
Mycological Laboratory, Department of Plant Physiology, Institute for Biological Research “Siniša Stanković”, National Institute of Republic of Serbia, University of Belgrade, 11060 Belgrade, Serbia
Lyudmila Divaeva
Institute of Physical and Organic Chemistry, Southern Federal University, Pr. Stachki 194/2, 344090 Rostov-on-Don, Russia
Anatolii Morkovnik
Institute of Physical and Organic Chemistry, Southern Federal University, Pr. Stachki 194/2, 344090 Rostov-on-Don, Russia
Alexander Klimenko
North-Caucasian Zonal Research Veterinary Institute, 346406 Novocherkassk, Russia
In this manuscript, we describe the design, preparation, and studies of antimicrobial activity of a series of novel heteroarylated benzothiazoles. A molecular hybridization approach was used for the designing compounds. The in vitro evaluation exposed that these compounds showed moderate antibacterial activity. Compound 2j was found to be the most potent (MIC/MBC at 0.23–0.94 mg/mL and 0.47–1.88 mg/mL) On the other hand, compounds showed good antifungal activity (MIC/MFC at 0.06–0.47 and 0.11–0.94 mg/mL respectively) with 2d being the most active one. The docking studies revealed that inhibition of E. coli MurB and 14-lanosterol demethylase probably represent the mechanism of antibacterial and antifungal activities.
