Computational modeling of cyclotides as antimicrobial agents against Neisseria gonorrhoeae PorB porin protein: integration of docking, immune, and molecular dynamics simulations

202419 citationsJournal Articlegold Open Access

Authors

Muzamal Hussain · Superior University

Nazia Kanwal · Superior University

Alishba Jahangir · Superior University

Nouman Ali · University of Central Punjab

Nimra Hanif · University of Central Punjab

Obaid Ullah · University of Agriculture Faisalabad

Abstract

Globa D proved the best drug candidate against Neisseria gonorrhoeae by inhibiting PorB Porin protein chain A. Further in vitro and in vivo studies are recommended to validate these findings and explore clinical applications.

Topics & Keywords

Biochemical and Structural Characterization Toxin Mechanisms and Immunotoxins Glycosylation and Glycoproteins Research

Publication Details

Published in: Frontiers in Chemistry

Volume 12, pp. 1493165-1493165

DOI: 10.3389/fchem.2024.1493165

Field-Weighted Citation Impact: 4.52

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Computational modeling of cyclotides as antimicrobial agents against Neisseria gonorrhoeae PorB porin protein: integration of docking, immune, and molecular dynamics simulations

Authors

Abstract

Topics & Keywords

Publication Details