Volume: 43 Issue: 3
Anti-proliferative assay guided isolation and molecular docking studies of novel stilbenoid analogue and other pyranoflavonoids from Artocarpus hirsutus Lam.
Year: 2021, Page: 97-107, Doi: https://doi.org/10.62029/jmaps.v43i3.Meenu
Received: June 11, 2021 Accepted: Nov. 15, 2021 Published: Dec. 31, 2021
Herein we report the comprehensive phytochemical assessment of a traditionally highlighted Artocarpus species, Artocarpus hirsutus Lam. The anticancer activity guided chemoprofiling of acetone extract of the bark managed the isolation of nine compounds; ß-sitosterol (1), Cudraflavone A (2), Cycloartocarpin (3), isoprenyl and geranyl flavonoids (4 and 5), Artocarpin (6), Cudraflavone C (7), 4'-methyl oxyresveratrol (8), and oxyresveratrol (9). Compounds 1, 4, 5, 7, and 8 are identified for the first time from the plant, where 8 is recognized as the novel compound, which is a stilbenoid derivative. Isoprenyl flavonoid artocarpin was isolated as the major compound from the acetone extract. The structures of all the isolated compounds were explicated by scrutinizing the spectroscopic data and in assessment with literature reports. The novel compound was characterized with the support of 1D, 2D NMR, HRMS analysis and finally compared with the parent compound 9. Compound 8, which is the novel one, showed good inhibition of the proliferation of SAS cancer cells. Similarly, compounds 4, 5, 6, and 7 showed more effect in MDA MB-231 cells compared to SAS cells. The BOILED-Egg model and Bioavailability Radar of the novel compound interprets its drug-likeness and bioavailability. The molecular docking simulation has been used to infer the interactions between the selected compounds and the active sites of the corresponding receptors.
Keywords: Anti-proliferation, Artocarpus, Molecular docking, Pyranoflavanoids, Stilbenoids
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© CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow-226015
Meenu MT, Girisa S, Shabnam B, Sukumaran VP, Rajaiansherin D, Sivan VV, Manojkumar TK, Kunnumakara AB, Radhakrishnan KV. 2021. Anti-proliferative assay guided isolation and molecular docking studies of novel stilbenoid analogue and other pyranoflavonoids from Artocarpus hirsutus Lam. J Med Aromat Plant Sci 43: 97-107.
