In-silico Inhibitory Potential of Triphala Constituents Against Cytochrome P450 2E1 for the Prevention of Thioacetamide-induced Hepatotoxicity

Background: Triphala, which is a combination of fruits Terminalia chebula, bellerica and Embilica officinalis generally recommended as herbal drug formulation in the Indian traditional medicine system.
 Study Design: To study in-silico inhibitory potential Triphala constituents against cytochrome P450 2E1 (CYP2E1) for prevention Thioacetamide-induced Hepatotoxicity
 Place Duration Study: The work has been performed at MUP's College Pharmacy (B Pharm), Degaon, Risod, Washim, Maharashtra, India between February 2021 to May 2021.
 Methodology: We have studied on CYP2E1 by applying molecular docking tools. major chemical i.e. gallic acid, chebulic ellagic epicatechin, syringic ascorbic acid were docked CYP2E1.
 Results: Docking results revealed very good terms binding affinity towards CYP2E1. All formed least 2 most 6 hydrogen bonds with crystal structure energies (kcal/mol) are -6.1, -7.1, -9.1, -8.3, -6.3, -5.7, respectively. Ellagic strong Thr-303 Thr-304 bond length 1.98 A0 2.26 confirms excellent inhibition Conclusion: These findings can be used control CYP2E1-facilitated biotransformation interactions development new entities. In future, these phytoconstituents lead molecules overcome cancer associated oxidative stress resulting from hyperactivity