Integrated In Silico Analysis of Antimicrobial Resistance Mechanisms in Sudanese Pseudomonas aeruginosa and Klebsiella pneumoniae
Integrated In Silico Analysis of Antimicrobial Resistance Mechanisms in Sudanese Pseudomonas aeruginosa and Klebsiella pneumoniae
Overview
Objectives
- Selection of Clinical Isolates: Identify and curate clinically significant Pseudomonas aeruginosa and Klebsiella pneumoniae isolates from Sudan with documented MDR/XDR profiles, including resistance to β-lactams, carbapenems, and other critical antibiotics.
- Resistance Gene Analysis: Extract and analyze genes associated with antimicrobial resistance, including: Antibiotic target-binding proteins, β-lactamases, Porins, Multidrug efflux pumps, Regulatory elements controlling resistance pathways.
- Structural and Functional Mutation Prediction: Predict the impact of point mutations on protein structure and function using in silico tools such as homology modeling, protein stability analysis, and structural impact prediction.
- Drug–Target Interaction Simulations: Perform molecular docking and drug–target binding simulations to assess how identified mutations influence antimicrobial efficacy and binding affinity.
- Comparative Global Analysis: Compare Sudanese mutational profiles with international AMR databases to identify unique or emerging resistance mechanisms specific to local bacterial populations.
- Public Health and Therapeutic Implications: Support national AMR surveillance efforts, inform evidence-based therapeutic decisions, and guide the rational design of next-generation antimicrobials effective against Pseudomonas aeruginosa and Klebsiella pneumoniae.