DNA binding studies of antibiotic drug cephalexin using spectroscopic and molecular docking techniques.
Nucleosides Nucleotides Nucleic Acids
; 38(6): 428-447, 2019.
Article
em En
| MEDLINE
| ID: mdl-30931791
ABSTRACT
The purpose of this study was to explore an accurate characterization of the binding interaction of antibiotic drug cephalexin with calf thymus DNA (CT-DNA) as a relevant biological target by using UV absorption, fluorescence spectroscopy and circular dichroism (CD) in vitro under simulated physiological conditions (pH = 7.4) and also through a molecular modeling study. The results showed that the drug interacts with the DNA helix via a minor groove binding mode. The thermodynamic parameters were calculated and showed that the reaction between the drug and CT-DNA was exothermic. In addition, the drug enforced traceable changes in the viscosity of DNA. The molecular modeling results indicated that cephalexin forcefully binds to the minor groove of DNA with a relative binding energy of -21.02 kJ mol-1. The obtained theoretical results were in good agreement with those obtained from experimental studies.
Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
DNA
/
Cefalexina
/
Simulação de Acoplamento Molecular
/
Antibacterianos
Limite:
Animals
Idioma:
En
Revista:
Nucleosides Nucleotides Nucleic Acids
Assunto da revista:
BIOQUIMICA
Ano de publicação:
2019
Tipo de documento:
Article
País de afiliação:
Irã