Design, synthesis, antimicrobial activity and computational studies of novel azo linked substituted benzimidazole, benzoxazole and benzothiazole derivatives.
Comput Biol Chem
; 78: 330-337, 2019 Feb.
Article
em En
| MEDLINE
| ID: mdl-30639681
ABSTRACT
Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by 1H NMR, elemental analysis, FTIR and UV-vis spectroscopy. The newly synthesized compounds were evaluated for invitro antibacterial activity against Staphylococcus aureus and Escherichia Coli strains by Resazurin microtiter assay method (REMA). The minimum inhibitory concentration (MIC in µg/mL) were used to express the antibacterial activities. The azo linked compounds exhibited good to moderate or high antibacterial activities in vitro. Computational studies were performed to correlate HOMO-LUMO gap with antibacterial activity. The comparative molecular docking studies revealed better insights into binding mechanisms.
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Texto completo:
1
Coleções:
01-internacional
Contexto em Saúde:
3_ND
Base de dados:
MEDLINE
Assunto principal:
Compostos Azo
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Benzimidazóis
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Benzoxazóis
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Desenho de Fármacos
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Benzotiazóis
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Simulação de Acoplamento Molecular
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Antibacterianos
Idioma:
En
Revista:
Comput Biol Chem
Ano de publicação:
2019
Tipo de documento:
Article