Abstract
IN VITRO AND IN SILICO ANTICANCER ACTIVITY OF NEGUNDOSIDE ISOLATED FROM LEAVES OF VITEX NEGUNDO LINN

Padmaa M. Paarakh*, Dileep Chandra Sreeram, Shruthi S.D. and Sujan Ganapathy P.S.

ABSTRACT

Vitex negundo Linn.[Verbenaceae], commonly known as Five-leaved Chaste tree or Monk’s Pepper (Hindi —Sambhalu, Nirgundi) is used as medicine fairly throughout the greater part of India. The aim of present study is to isolate negundoside and evaluate anticancer activity by in vitro and in silico method. Negundoside was isolated by column chromatography from ethyl acetate fractionation of methanol extract of leaves of V.negundo. Negundoside was characterized by UV,IR, 1H-NMR, 13C-NMR and Mass spectrum. Standardization of negundoside was done by HPTLC fingerprinting. In vitro anticancer activity was done using HeLa cell lines by MTT assay at different concentrations ranging from 20-100 μg/ml and in silico docking studies using enzyme EGFR tyrosine kinase. Fingerprinting of isolated negundoside were done by HPTLC method. The IC50 value was found to be 62.69 μg/ml in in vitro anticancer activity in HeLa Cell lines. Negundoside was subjected to molecular docking studies for the inhibition of the enzyme EGFR tyrosine kinase, which is one of the targets for inhibition of cancer cells. It has shown -7.32 kJ mol-1 binding and -11.32 kJ mol-1 docking energy with five hydrogen bonds. Negundoside has shown to possess anticancer activity both in vitro and in silico studies.

Keywords: In vitro anticancer activity; In silico docking studies; Isolation; Negundoside; Vitex negundo.


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