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Synthesis, SAR, Molecular Docking and Anti-Microbial Study of Substituted N-bromoamido-2-aminobenzothiazoles

Author(s):

Devidas G. Anuse*, Bapu R. Thorat, Sudhir Sawant, Ramesh S. Yamgar*, Hemchandra K. Chaudhari and Suraj N. Mali   Pages 1 - 11 ( 11 )

Abstract:


Background: Series of substituted N-bromoamido-2-aminobenzothiazoles was synthesized from substituted anilines via 2-aminobenzothiazoles and evaluated for their antimicrobial activity.

Methods: All synthesized 9 compounds were characterized by FT-IR, NMR and mass spectra and purity was studied by HPLC analysis. The antimicrobial testing (MIC determination) was newly and performed with agar micro-broth dilution method for these analogues.

Results: Among the synthesized compound 3b showed the highest activity against E. coli with MIC value of 3.12 µg/mL against E. coli, Staph, Klebsiella and 6.25 µg/mL against C. albicans. The ADME properties as calculated by using Qikprop were found within acceptable range. Molecular docking results showed that these derivatives are having good-moderate binding affinity towards target Cytochrome P450 14 alpha-sterol demethylase (CYP51) (PDB ID: 1EA1).

Conclusion: From the in-silico and in-vitro analysis, our study will definitely help researchers for development of more potent antimicrobial agents in future.

Keywords:

2-aminobenzothiazole, antimicrobial activity, molecular docking, Antibacterials, ADMET predictions

Affiliation:

Department of Chemistry, Government of Maharashtra`s Ismail Yusuf College of Arts, Science and Commerce, Mumbai 60, Department of Chemistry, Government of Maharashtra`s Ismail Yusuf College of Arts, Science and Commerce, Mumbai 60, 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, Institute of Chemical Technology, Matunga, Mumbai 400019, Department of Pharmaceutical Sciences, Institute of Chemical Technology, Matunga, Mumbai 400019



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