In Silico Therapeutic Effects Of Vitis Vinifera Phytochemicals On Periodontitis And Alveolar Periimplantitis Microbiota

Abstract

Inflammation of tissues surrounding the teeth and alveolar bone implants placed in the oral cavity is termed as periodontitis and peri-implantitis respectively. Microbial attack has plays a major role for its biological failure. Recently, the efficacies of plant extracts are being widely explored in the treatment of diseases. In this study, an attempt has been made to explore the antimicrobial properties of individual phytochemicals of Vitis vinifera on periodontitis and periimplantis microbiota through in silico analysis.

Method: The PDB files of phytochemicals of Vitis vinifera were downloaded from PUB CHEM. The molecular interaction procedure between the phytochemicals derived from the grape  extracts namely gallic acid, anthocyanin and procyanidin were made to interact with the bacterial proteins with the help of PyMOL and Autodock Vina.

Result: Protein ligand interaction analysis showed that the phytochemical, procyanidin acted as a ligand and tightly bound to the active site of Prevotella intermedia, Compylobacter rectus, Fusobacterium nucleatum, Tannerella forsythia and Porphyromonas gingivalis with highest affinity through a series of favorable covalent interactions. Anthocyanin showed highest affinity for Aggregatibacter actinomycetemcomitans and Candida albicans. Whereas, gallic acid of the grape plant showed least affinity for the active sites of all the microbes..