Insilico Docking Studies of Benzoic Acid from Indigofera aspalathoides Against Liver Cancer

Author(s): Girija. R, Aruna. S and Premalatha. M

Abstract: Civanarvembu/ Iraivanvembu in Tamil is botanically equated as Indigofera aspalathoides Vahl.ex.DC. Various phytochemical compounds such as Tannin, Flavonoid, Saponin, Sterol and Phenol were found in the plant extract. Indigofera aspalathoides (I.aspalathoides) concern to the family Fabaceae and it grows in Southern India. This plant has been used in traditional medicine for the treatment of tumors, gastric hyperacidity, ulcers, and toothache. The stem was conventional used for various skin disorders and cancer. Hepatocellular carcinoma (HCC) is a major health burden and most common cause of cancer-related death in India and other countries. MAP kinases are activated within protein kinase cascades that regulate cell proliferation, differentiation, and cell death. The potential ligand candidate was identified from Pubchem database. I.aspalathoides derived compounds such as Phenanthrenol, Benzoic acid, cyclohexanol, Tetradecanoic acid, 2-Methoxy-4α-methylandrost-2-en-17ol-l-one 5β and n-hexadecanoic acid. Lipinski rule was employed to check the ligand likeliness of the compound. The 3D crystallographic structure of MAPK Tumour Suppressor Protein (ID.1CM8) fetched from the PDB (Protein Data Bank) and protein target sites of the ligands were identified. Molecular docking studies was executed using Autodock Vina (Autodock 4.2). Hence it has been concluded Benzoic acid as a novel inhibitor for MAPK protein in Liver Cancer.

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