Exploring the molecular interaction of pheniramine with Enterococcus faecalis homoserine kinase: In-silico studies.
Enterococcus faecalis
Homoserine Kinase
Multidrug resistant
homology modelling
Journal
Journal of molecular recognition : JMR
ISSN: 1099-1352
Titre abrégé: J Mol Recognit
Pays: England
ID NLM: 9004580
Informations de publication
Date de publication:
10 2022
10 2022
Historique:
revised:
03
05
2022
received:
05
10
2021
accepted:
26
05
2022
pubmed:
2
6
2022
medline:
16
9
2022
entrez:
1
6
2022
Statut:
ppublish
Résumé
Infections caused by the bacteria Enterococcus faecalis (also known as E. faecalis) are common in hospitals. This bacterium is resistant to a wide range of medicines and causes a variety of nosocomial infections. An increase in the number of infections caused by multidrug-resistant (MDR) bacteria is causing substantial economic and health issues around the world. Consequently, new therapeutic techniques to tackle the growing threat of E. faecalis infections must be developed as soon as possible. In this regard, we have targeted a protein that is regarded to be critical for the survival of bacteria in this experiment. Homoserine kinase (HSK) is a threonine metabolism enzyme that belongs to the GHMP kinase superfamily. It is a crucial enzyme in threonine metabolism. This enzyme is responsible for a critical step in the threonine biosynthesis pathway. Given the important function that E. faecalis Homoserine Kinase (ESK) plays in bacterial metabolism, we report here cloning, expression, purification and structural studies of E. faecalis HSK using homology modelling. In addition, we have reported on the model's molecular docking and Molecular Dynamic Stimulation (MD Stimulation) investigations to validate the results of the docking experiments. The results were promising. In silico investigations came up with the conclusion: pheniramine has good binding affinity for the E. faecalis HSK.
Substances chimiques
Anti-Bacterial Agents
0
Pheniramine
134FM9ZZ6M
Threonine
2ZD004190S
Phosphotransferases (Alcohol Group Acceptor)
EC 2.7.1.-
homoserine kinase
EC 2.7.1.39
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
e2979Informations de copyright
© 2022 John Wiley & Sons Ltd.
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