The evaluations of the inhibition of orlistat on Clostridium perfringens sialidase (NanI) activity by inâ
vitro and in silico approaches.
Chem Biodivers
; 21(2): e202301634, 2024 Feb.
Article
em En
| MEDLINE
| ID: mdl-38156512
ABSTRACT
Clostridium perfringens (C. perfringens) is a bacterium that causes serious problems in humans and animals such as food poisoning, gas gangrene and infections. C. perfringens has three sialidases (NanH, NanI, NanJ) and inhibition of NanI constitutes an approach in the treatment of C. perfringens since NanI provides the carbohydrate source necessary for the growth of bacteria. In our study, the inhibition effect of some drugs belonging to different drug groups on NanI activity was investigated. Among these drugs, orlistat (0.21±0.05â
µM) was determined to have a lower IC50 value than the positive control quercetin (15.58±1.59â
µM). It was determined inâ
vitro by spectrofluorometric method. Additionally, NanI molecular docking studies with orlistatand quercetin were performed using iGemdock, DockThor and SwissDock. Orlistat (-93.93, -8.649 and -10.03â
kcal/mol, respectively) was found to have a higher binding affinity than quercetin (-92.68, -7.491 and -8.70â
kcal/mol, respectively), and the results were in line with inâ
vitro studies. The results may suggest that orlistat is a molecule with drug potential for C. perfringens because it inhibits the drug target NanI, and that the inhibition efficiency can be increased by studies with orlistat derivatives.
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Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Clostridium perfringens
/
Neuraminidase
Limite:
Animals
/
Humans
Idioma:
En
Revista:
Chem Biodivers
/
Chem. biodivers. (Online)
/
Chemistry & biodiversity (Online)
Assunto da revista:
BIOQUIMICA
/
QUIMICA
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
Turquia
País de publicação:
Suíça