Identification and Structure Elucidation of Phytochemical Constituents From the Medicinal Plant ‘Goniothalamus wynaadensis’ and It’s In-silico Study with Tubulin Protein
Posted: 20 Feb 2020
Date Written: February 10, 2020
Goniothalamus genus belongs to Annonaceae family of fruit and flower bearing plants and trees and is distributed in tropical and subtropical countries. Several species of this genus are used in folk medicine for the treatment of different disease like edema and rheumatism. This genus have reported to be rich in different acetogenins, styryl lactones, alkaloids etc. Among these reported molecules, styryl lactones are noteworthy as cytotoxic molecules having specific activity towards different cancer cell lines. Noting this background, identification, structure elucidation and molecular docking of phytochemical constituents was carried out on less explored species, ‘Goniothalamus wynaadensis’ which was collected from Waynaad, Kerala. Three new styryl lactones namely goniodiol-7-monoacetate, goniodiol-8-monoacetate and goniodiol were identified from ethyl acetate fraction, which are first time reported from this species. The isolated molecules were confirmed using 1D, 2D NMR & HRMS data and were also found to be amicable with the earlier reports from different genus. Further these compounds were docked into the active site of the structural protein Tubulin (PDB entry: 5FNV). Covalent docking method employed on these compounds to explore their interactions with protein. Very interestingly the molecules displayed similar binding patterns with amino acids in the active site as by Pironetin anticancer agent. The docking results for the molecules in terms of score are tabulated.
Keywords: Goniothalamus wynaadensis,goniodiol-7-monoacetate, goniodiol-8-monoacetate, goniodiol, Tubulin (PDB entry: 5FNV), Styryl lactone
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