Molecular investigation of antimicrobial peptides against Helicobacter pylori proteins using a peptide-protein docking approach.

ABSTRACT: The impact of H. pylori resistance on patient's treatment failure is a major concern. Therefore, the development of novel or alternative therapies for H. pylori is urgently needed. The purpose of this study was to investigate the molecular interactions of various antimicrobial peptides (AMPs) to H. pylori proteins. We performed the peptide-protein molecular docking using HADDOCK 2.4 webserver. Fourteen AMPs were tested for their binding efficacy against four H. pylori proteins. Simulation of the peptide-protein complex was performed using molecular dynamic software package AMBER20. From molecular docking analysis, five peptides (LL-37, Tilapia piscidin 4, napin, snakin-1 and EcAMP1) showed strong binding interactions against H. pylori proteins. The strong

SUBMITTER: Hanafiah A 

PROVIDER: S-EPMC10963377 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature