In Silico Screening of Triphala Churna against Bacterial Agents

Abstract

Triphala Churna consisting Triphala and its constituents have been revealed to have antibacterial properties against human pathogens. The phenolic ring of phytochemicals has been confirmed to be toxic against microorganisms and hence responsible for antibacterial effect. It has also been found to possess antimicrobial, anti-inflammatory, anti-oxidant, and other properties. The objective of this project is to investigate which bioactive compounds of Triphala churna have antibacterial action and can protect humans from infection. The majority of the molecules in phytochemical examination were positive for ethanolic and acetone extracts and the physicochemical characteristics were within the acceptable limits. In silico data clearly explains that the compounds of Triphala churna follows Lipinski’s rule of five. The toxicity profile and ADME parameters of the compounds revealed that most of the compounds were nontoxic towards carcinogenicity, mutagenicity, and reproductive effect. Based on the energy type of interaction between these molecules and the study protein, molecular docking revealed that the three compounds from Triphala churna own the highest docking score against InhA protein: Terflavin B (-9.67 Kcal/mol), Ellagic acid (-9.37 Kcal/mol), and Corilagin (-8.57 Kcal/mol).