Isolation of 2 4 di tert butyl phenol from plumbago zeylanica and its anticancer activity against matrix metallo proteinase an in silico and in vitro study

Abstract

newline The leaves of P.zeylanica, one of the most widely used newlinemedicinal plants, were extracted using four various solvents: Methanol newline(M), ethyl acetate (EA), chloroform(C) and hexane (H). Antioxidant and newlineantibacterial effects were studied in all solvent extracts. As ethyl acetate newlineextract showed greater antibacterial activity, as well as greater newlineantioxidant activity, it was chosen for further analysis. Utilizing thin newlinelayer chromatography and column chromatography 56 secondary newlinemetabolites were isolated from the leaf extract. The compounds were newlineidentified by UV-spectroscopy. The GC-MS analysis confirmed the newlinenames and concentrations of the compounds. Among the 56 secondary newlinemetabolites, six compounds with concentration greater than 10% were newlinesubjected to docking analysis to test their potential anticancer activity. newlineThey were (I): 2,4-Ditert butyl phenol-11.64 %, (II): 9-Eicosene12.03%, (III):Pentadecane-11.74%, (IV): 1,3-Di-tertbutyl benzene - newline10.03 %, (V): 1-tert butyl-3,5-diethyl benzene-10%, (VI):9-Octadecene12.91 %.). Based on in silico process, dock score and hydrogen bond newlineinteraction results of the six compounds, 2,4 DTBP was selected for newlinefurther analysis. (2, 4-DTBP-dock score was -54 and it had 2 hydrogen newlinebonds) This compound was isolated using HPLC and its structure was newlinedetermining using NMR. Furthermore, the antioxidant, antifungal, newlinecytotoxic and apoptotic activities were evaluated