Work

In silico selection of novel MurF inhibitors as futuristic antimicrobials

Year: 2025

Type: article

Abstract: MurF is considered as crucial enzyme, having role in bacterial cell wall biosynthesis. Peptidoglycan is a vital component of the bacterial cell wall, providing mechanical resistance to internal osmotic pressure and maintaining the structural integrity and shape of the cell. Molecular docking studies were employed to evaluate the potential of thousands of designed derivatives as an inhibitor of the MurF enzyme (PDB ID 1GG4) by using Schrodinger glide. On the basis of docking results Naringenin and Catechin were selected. The combined docking studies results could be selected as promising antimicrobial agents.

Source: Journal of Research in Chemistry

DOI: 10.22271/reschem.2025.v6.i1c.186

Authors: Manisha Chhikara, Balvinder Singh, Pawan Jalwal, Amit Lather, Tanuj Hooda

Institutions: Baba Mastnath University, Maharishi Markandeshwar University, Mullana

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: bronze

OpenAlex ID: W4411758891