Title

Molecular modelling and docking analysis of a modelled trmB protein from Pseudomonas aeruginosa with selected chemical compounds

Authors

Sakshi Bhati, Imteyaz Qamar & Nagendra Singh*

Affiliation

Department of Biotechnology, University School of Biotechnology, Gautam Buddha University, Greater Noida, Uttar Pradesh - 201312, India; *Corresponding author

Email

Sakshi Bhati - E - mail: sakshibhati6662@gmail.com
Imteyaz Qamar - E - mail: imteyazqamar@gbu.ac.in

Nagendra Singh - E - mail: nagendra@gbu.ac.in

Article Type

Research Article

Date

Received April 1, 2025; Revised April 30, 2025; Accepted April 30, 2025, Published April 30, 2025

Abstract

Antimicrobial resistance (AMR) threatens global health with rising antibiotic-resistant infections, requiring novel antimicrobial targets. Therefore, it is of interest to report the molecular modeling and docking analysis TrmB from Pseudomonas aeruginosa with suitable compounds. We show two compounds (5136 and 9865603) from the chemical library have optimal binding with the modelled TrmB from Pseudomonas aeruginosa for further consideration.

Keywords

TrmB, homology modeling, virtual screening, molecular dynamics, protein-ligand interaction

Citation

Bhati et al. Bioinformation 21(4): 657-664 (2025)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.