In silico screening and molecular dynamics analysis of natural DHPS enzyme inhibitors targeting Acinetobacter baumannii

In silico screening and molecular dynamics analysis of natural DHPS enzyme inhibitors targeting Acinetobacter baumannii

Abstract Over time, antimicrobial agents are losing their credibility in curbing infections due to the development of resistant pathogen strains. The resistant strains have proven to invade living beings and cause various diseases, leading to deaths at an alarming rate. Acinetobacter baumannii is on...

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Bibliographic Details
Main Authors: Saurabh Kumar Bhati, Farah Anjum, Anas Shamsi, Md Imtaiyaz Hassan, Monika Jain, Jayaraman Muthukumaran, Rashmi Prabha Singh, Amit Kumar Singh
Format: Article
Language:English
Published: Nature Portfolio 2025-03-01
Series:Scientific Reports
Subjects:
MDR
Acinetobacter baumannii
DHPS enzyme
Virtual screening
MD simulation
MM/PBSA
Online Access:https://doi.org/10.1038/s41598-025-90946-9
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https://doi.org/10.1038/s41598-025-90946-9

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