Unveiling Plant-Based Antimicrobial Peptides by In Silico Tools

Abstract

Background:Bacterial vaginosis (BV) arises from a disruption in the vaginal microbiome, primarily characterized by a decrease in Lactobacilli and 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.

Methods:Insilico study was conducted to screen and characterize AMPs from Thymbracapitata 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.

Result:Analysis revealed that TCCP-1, a peptide from Thymbracapitata, is more stable and hydrophilic, while ZMLP-2 from Zatariamultiflora exhibits higher hydrophobicity, making it more suited for membrane interactions. These characteristics suggest that these plant-derived peptides have properties favorable for treating BV.

Conclusion:Plant-derived antimicrobial peptides (AMPs), especially those from Thymbracapitata and Zataria 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 Gardnerella vaginalis is 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.