Unveiling Plant-Based Antimicrobial Peptides byIn Silico Tools

Bacterial vaginosis (BV) arises from a disruption in the vaginal microbiome, primarily characterized by a decrease in Lactobacilliand an overgrowth of bacteria like Gardnerella vaginalis. These findings highlight the potential of plant-derived AMPs as novel, effective treatments for BV, offering a pathway to combat antimicrobial resistance and recurrence.Insilico study was conducted to screen and characterize AMPs from Thymbra capitata and Zataria multiflora, two plants with well-documented medicinal propertiesdesigned to target the ABC transporter permease protein in G. vaginalis, a key contributor to antimicrobial resistance. Structural and physicochemical analyses were conducted to assess peptide stability, hydrophilicity, and membrane interaction potential.Analysis revealed that TCCP-1, a peptide from T.capitata, is more stable and hydrophilic, while ZMLP-2 from Z.multifloraexhibits higher hydrophobicity, making it more suited for membrane interactions. These characteristics suggest that these plant-derived peptides have properties favorable for treating BV.Plant-derived antimicrobial peptides (AMPs), especially those from T.capitataand Z.multiflora, show potential as innovative treatments for bacterial vaginosis (BV), offering a holistic and effective approach while mitigating antimicrobial resistance and recurrence. In silico analysis suggests that the identified transporter in G.vaginalisis likely an integral membrane protein, a critical insight for docking studies as interactions with membrane-bound proteins differ from those in the cytoplasm or extracellular space. Targeting this protein with AMPs could disrupt cellular transport and division, impairing the pathogen's ability to survive and propagate.