Computational Study of Telang Flower Extract (Clitoria Ternatea) as an Anti-Inflammantory Drug

Abstract

Telang Flower (Clitoria ternatea) is one of the plants rich in benefits for human health. Genistein is a natural bioactive compound derived from nuts and some plants with potential effects beneficial in some human degenerative diseases. The purpose of this research is to conduct bioinformatic studies of herbal compound in the plant Clitoria ternatea. The method used is modeling and computation using ChemDraw Pro 12.0 and Chem3D programs and analyze active compounds using website Dr. Duke’s Phytochemical and Ethnobotanical databases, PubChem, and Swiss Target Prediction. The results obtained were extract Clitoria ternatea contains one active compound in it. Identified compound active in this plant, namely Genistein or 5,7-dihydroxy-3-(4-hydroxyphenyl) chromen-4-one. The total energy obtained from the compound Genistein after being optimized after 100steps and at a temperature of 300K which is 29,698 kcal/mol. Genistein is a soy-derived isoflavone and phytoestrogen with antinoplastick activity. Genistein exhibits antioxidant activity, antiangiogenic, and immunosuppressive. Genistein is a relative antioxidant bad. Genistein is currently being studied in clinical trials as a treatment for prostate cancer.