Targeting Gardnerella Vaginalis with Jatamansin for the Treatment of Bacterial Vaginosis
Abstract:
One of the most prevalent infections in the vagina is bacterial vaginosis which causes immense physical and psychosocial discomfort in reproductive women and raises the possibility of preterm birth, pelvic inflammatory disease, and other conditions. Many studies show that among the bacterial species that cause this disease, Gardnerella vaginalis is the major cause of bacterial vaginosis. This study aims to identify potential protein targets for treating bacterial vaginosis disease using phytochemical compounds. The potential protein target of G. vaginalis is identified through several analyses using bioinformatics tools. It was interacted against the existing 74 phytochemical compounds which were already used in studies related to vaginal infection, G. vaginalis, bacterial vaginosis by using molecular docking approach and stable interactions were analyzed using MD simulation. The potential protein target is 30s ribosomal s15, and the top 5 potential phytochemical compounds are Luteolin, Paulowin, Jatamansin, Apigenin, and Kaempferol were identified, and their interactions were visualized. Molecular Dynamics shows that among the 5 compounds, Jatamansin is stable and interacts well with the target. Jatamansin is a potential phytochemical that interacts well and has good pharmacokinetic properties against the 30s ribosomal s15 G. vaginalis protein to inhibit bacterial vaginosis infection.
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