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

Author:

Anuse Devidas G.1ORCID,Thorat Bapu R.1ORCID,Sawant Sudhir1ORCID,Yamgar Ramesh S.2ORCID,Chaudhari Hemchandra K.3ORCID,Mali Suraj N.3ORCID

Affiliation:

1. Department of Chemistry, Government of Maharashtra’s Ismail Yusuf College of Arts, Science and Commerce, Mumbai 60, India

2. Department of Chemistry, Chikitsak Samuha’s Patkar-Varde College of Arts, Science and Commerce, Goregaon (West), Mumbai 400 062, India

3. Department of Pharmaceutical Sciences, Institute of Chemical Technology, Matunga, Mumbai 400019, India

Abstract

Background: Benzothiazoles are reported to have bioorganic and pharmaceutical chemistry applications. Introduction: A series of substituted N-bromoamido-2-aminobenzothiazoles was synthesized from substituted anilines via 2-aminobenzothiazoles and it was further evaluated for its antimicrobial activity. Methods: All the newly synthesized compounds were characterized by FT-IR, NMR and mass spectra and purity profiles were studied by HPLC analysis. The antimicrobial testing (MIC determination) was newly performed with agar micro-broth dilution method for these analogs. Results: Among the synthesized compound 3b showed the highest activity with MIC value of 3.12 μg/mL against Bacillus, E. coli, S. aureus and Klebsiella and 6.25 μg/mL against C. albicans. The ADME properties as calculated by using Qikprop were found within acceptable range. Derivatives shows a good-moderate binding affinity towards target Cytochrome P450 14 alpha-sterol demethylase (CYP51) (PDB ID: 1EA1). Conclusion: Our in-silico and in-vitro studies on a series of substituted aminobenzothiazoles may be helpful for further designing of more potent antimicrobials in future.

Publisher

Bentham Science Publishers Ltd.

Subject

Drug Discovery,Molecular Medicine,General Medicine

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