Rational Design and In Silico Evaluation of a Dual-Action Antimicrobial Peptide Targeting Efflux Pump and Membrane Integrity in Pseudomonas aeruginosa.

The Activity of Antimicrobial Peptides (AMPs) Identified Via an Integrated in Silico and Pilot in Vitro Screening Approach Towards ESKAPE Pathogens.

A stability-centric computational discovery pipeline to identify and characterize novel antimicrobial peptides with potent and selective bactericidal activity against ESKAPE pathogens and to validate the lead candidates through experimental in vitro assays provided a generally applicable strategy for accelerating the d...

Rational hybrid design and computational characterization of PA-Hyb1: a novel peptide inhibitor targeting the MexB efflux pump in Pseudomonas aeruginosa

A Comprehensive In-Silico Pipeline for the Discovery of Non-toxic, Stable Antimicrobial Peptides From Databases for Targeting Multi-Drug Resistant K. pneumoniae

Four promising AMP candidates targeting DnaA are identified and a computational framework for peptide prioritization against multidrug-resistant K. pneumoniae is provided and the proposed interactions remain computational predictions and require experimental validation.

Integrated In silico and In Vitro Evaluation of Piperine Derivatives as Potential Efflux Pump Inhibitors in Methicillin-Resistant Staphylococcus aureus

The increasing prevalence of antibiotic resistance mediated by efflux pump activity represents a major challenge in the treatment of infections caused by methicillin-resistant Staphylococcus aureus (MRSA). Efflux pumps such as NorA and MepA reduce intracellular antibiotic accumulation and contribute significantly to...

Discovery of Novel Antimicrobial Peptides from Casein via Integrated In Silico and Experimental Approaches: Identification and Mechanistic Insights

The antimicrobial mechanism of VRYL revealed that it exerts its antimicrobial activity by compromising the integrity of both the outer and inner bacterial membranes, and suggest that VRYL holds substantial promise for utilization in the food industry and as a natural antimicrobial agent.

An integrative computational and experimental evaluation of natural compounds with potential to target LuxS in Klebsiella pneumoniae

Findings identify resveratrol as a promising anti-virulence candidate and highlight the utility of integrative computational and experimental strategies for the identification of compounds targeting quorum sensing and biofilm formation inhibition in multidrug-resistant pathogens.