Title:Synthesis, SAR, In silico Appraisal and Anti-Microbial Study of Substituted 2-aminobenzothiazoles Derivatives
VOLUME: 16 ISSUE: 6
Author(s):Devidas G. Anuse, Suraj N. Mali, Bapu R. Thorat*, Ramesh S. Yamgar and Hemchandra K. Chaudhari
Affiliation:Department of Chemistry, Government of Maharashtra’s Ismail Yusuf College of Arts, Science and Commerce, Mumbai 60, Department of Pharmaceutical Sciences and Technology, Institute of Chemical Technology, Matunga, Mumbai 400019, Department of Chemistry, Government of Maharashtra’s Ismail Yusuf College of Arts, Science and Commerce, Mumbai 60, Department of Chemistry, Chikitsak Samuha’s Patkar-Varde College of Arts, Science and Commerce, Goregaon (West), Mumbai 400 062, Department of Pharmaceutical Sciences and Technology, Institute of Chemical Technology, Matunga, Mumbai 400019
Keywords:2-aminobenzothiazole, SAR analysis, antimicrobial activity, Molecular Docking, 1D7U, 1EA1.
Abstract:
Background: Antimicrobial resistance is a major global health problem, which is being
rapidly deteriorating the quality of human health. Series of substituted N-(benzo[d]thiazol-2-yl)-2-
(4-(6-fluorobenzo[d]isoxazol-3-yl) piperidin-1-yl)acetamide (3a-j) were synthesized from substituted
N-(benzo[d]thiazol-2-yl)-2-chloroacetamide/bromopropanamide (2a-j) and 6-fluoro-3-
(piperidin-4-yl)benzo[d]isoxazole (2) and further evaluated for their docking properties and antimicrobial
activity.
Methods: All the synthesized compounds were characterized by FT-IR, NMR and Mass spectral
analysis. All compounds were allowed to dock against different antimicrobial targets having PDB
ID: 1D7U and against common antifungal target having PDB ID: 1EA1.
Results: The compounds 3d and 3h showed good activity against Methicillin-resistant Staphylococcus
aureus (MRSA, resistance Gram-positive bacteria). All synthesized compounds showed
good to moderate activity against selected bacterial and fungal microbial strains. If we compared
the actual in-vitro antimicrobial activity and in silico molecular docking study, we found that molecules
3i and 3h were more potent than the others.
Conclusion: Our current study would definitely pave the new way of designing and synthesis of
more potent 2-aminobenzothiazoles derivatives.
