BIOINFORMATICS EXPLORATION OF ROYAL JELLY-DERIVED PEPTIDES OF HONEYBEE AS POTENTIAL INHIBITORS OF SELECTED MAJOR VIRULENCE FACTORS IN NEISSERIA GONORRHOEAE

Objectives: Neisseria gonorrhoeae has become a substantial worldwide health threat as antibiotic resistance increases. The urgent need for alternative treatments is underscored by the lack of a vaccine and the increasing prevalence of drug-resistant strains. Royal jelly (RJ), a beehive product rich in proteins and bioactive compounds, has garnered attention for its latent therapeutic applications. RJ antimicrobial properties have driven the exploration of new approaches to combat drug-resistant pathogens. Methods: Bioinformatics approaches were employed for modeling RJ derived-peptide and to analyze the structure, physicochemical properties, antimicrobial potential, and docking interactions of the three peptides (Apisimin, royalisin (defensin-1), and Major RJ protein 1 (MRJP-1) with the major outer membrane protein (PorB) and Type IV major pilin protein PilE from N. gonorrhoeae membrane protein. Results: Distinct motifs were identified for every peptide modeled from RJ by structural analysis. Peptides showed diverse physicochemical characteristics and could impact their biological functions. Machine learning predicted antimicrobial activity for defensin-1 and MRJP-1. Docking simulations suggested stronger interactions between PorB and the peptides compared to PilE. Defensin-1 could be an important peptide in developing novel antimicrobial agents for targeting N. gonorrhoeae. Nonetheless, in vitro investigations are necessary. Conclusion: This study underscores the imminent potential of immunoinformatics tools in discovering innovative antimicrobial solutions, including membrane disruption, and emphasizes their role and possible routes of action in developing alternative treatments to overcome this persistent pathogen.