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Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents. 2022

Alexander Zubenko, and Victor Kartsev, and Anthi Petrou, and Athina Geronikaki, and Marija Ivanov, and Jasmina Glamočlija, and Marina Soković, and Lyudmila Divaeva, and Anatolii Morkovnik, and 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.

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