Synthesis, SAR, Molecular Docking and Anti-Microbial Study of Substituted N-bromoamido-2-aminobenzothiazoles.
Curr Comput Aided Drug Des
; 16(5): 530-540, 2020.
Article
em En
| MEDLINE
| ID: mdl-31475902
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.Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Benzotiazóis
/
Simulação de Acoplamento Molecular
/
Antibacterianos
/
Antifúngicos
Tipo de estudo:
Prognostic_studies
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article