Computational Insights of Glucosamine-6-Phosphate Synthase- 2vf5 as Potential Inhibitors of Imidazole Derivatives

Background Bacterial infections pose a significant global health threat due to the increasing prevalence of antibiotic-resistant strains. Despite the availability of new antibacterial agents in India, some infections remain difficult to treat due to resistance and side effects. Glucosamine-6-phosphate synthase (2VF5) is an essential enzyme in bacterial cell wall formation, making it a promising target for novel drug development. This research focuses on molecular docking interactions and ADME (Absorption, Distribution, Metabolism, and Excretion) analysis of halogenated and electron-withdrawing/donating derivatives as potential inhibitors of 2VF5. Materials and Methods Computational molecular docking studies were performed to evaluate the binding affinity of selected derivatives with 2VF5. The antibacterial activity of these compounds was assessed using an in-vitro earthworm model, where 100 mg/mL concentrations were tested. Paralysis and mortality times were documented. ADME analysis was conducted to evaluate pharmacokinetic characteristics. Results Molecular docking findings revealed strong interactions between the tested compounds and 2VF5, suggesting their potential as inhibitors. In-vitro assays showed that the active compounds caused paralysis in earthworms within 20 minutes and death within 24 minutes. ADME analysis indicated favorable pharmacokinetic properties. Conclusion The results suggest that the tested compounds possess antibacterial potential by targeting glucosamine-6-phosphate synthase. Their strong molecular docking interactions and effective in-vitro performance support further research for potential clinical applications in antibacterial therapy.