Characterization, Pharmacology and In-silico study of 2,4 Ditertiary Butylphenol Isolated from the leaves of Ficus auriculata Lour.

Abstract

Ficus auriculata belongs to the family of dicotyledonous plant. The general phytochemical screening for Ethanol, Hexane, Chloroform and Water extracts are done. Since ethanol shows the presence of maximum compounds, it is subjected to the isolation of phenolic compounds by TLC and Column Chromatography. On repeating this process, a white crystalline solid results, which on the basis of UV-Vis, FT-IR, GC-MS, 1H NMR, confirms that the isolated compound is 2,4 Ditertiary Butyl Phenol (2,4 DTBP). The isolated compound is further studied for its solvent effect and subjected to anti-microbial and Cytotoxicity studies with AGS cancer cell line and HIEC-6 (Human Normal Intestinal Epithelial cell line). Docking studies is carried out using Patch Dock server, with 2,4DTBP as guest and Occluding, which is a Tight Junction Protein (TJP) as host. The resulted structure is further subjected to Lipinski Rule of five. The present study concludes that 2,4 DTBP shows intermediate resistance against gram positive and gram negative bacteria like S. aureus, E. coli, Klebsiela pneumonia, strongly resistant to fungi Candida sps. According to cytotoxic and in silico studies, the isolated compound has excellent anticancer properties and is thus used in the treatment of gastric cancer. From the Lipinski rule, it is confirmed that the drug can be administered orally.