Network Pharmacology-Based Identification of Key Metabolites from Immunized Rhynchophorus Larvae as Therapeutic Agents Against Antibiotic-Resistant Neisseria gonorrhoea
Year: 2025
Type: article
Abstract: Background and Objective: Gonorrhoea, caused by Neisseria gonorrhoeae, continues to pose a major global health threat due to the rising incidence of antibiotic resistance. This study aimed to explore the potential of metabolites derived from immunized larvae of Rhynchophorus sp., as alternative therapeutic agents for the treatment of gonorrhea. Materials and Methods: Liquid Chromatography-Mass Spectrometry/Mass Spectrometry (LC-MS/MS) was used to identify metabolites from the hemolymph of larvae immunized with non-pathogenic Escherichia coli. Subsequently, key molecular targets of these metabolites were identified through network pharmacology and molecular docking approaches. Results: Metabolite interaction networks revealed L-glutamic acid as the compound with the highest degree of interaction (25) among the 15 identified amino acid-derived metabolites. Further analysis of gene interactions identified guaA, which encodes guanosine monophosphate synthetase, as having the highest degree of interaction (27). Binding-free energy of identified metabolites, with L-tryptophan showing the highest binding free energy of -5.9 kcal/mol in the guanosine monophosphate receptor. Conclusion: The study identifies guanosine monophosphate synthetase (GMPS) as a promising target for combating gonorrhea, with L-tryptophan showing potential as a lead compound. Targeting GMPS disrupts critical metabolic pathways in N. gonorrhea, offering a novel approach against antibiotic-resistant strains. By integrating metabolite analysis, network pharmacology and molecular docking, the study provides a comprehensive framework for drug discovery. This multidisciplinary strategy advances the development of effective therapies for antibiotic-resistant pathogens.
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4410137712