Plants are fantastic sources for present day life saving drugs. Monocrotaline a natural ligand exhibits dose-dependent
cytotoxicity with potent antineoplastic activity. This study was intended to disclose the therapeutic potential of monocrotaline against
hepatocellular carcinoma. The in silico predictions have highlighted the antineoplastic potential, druglikeness and biodegradability of
monocrotaline. The in silico docking study has provided an insight and evidence for the antineoplastic activity of monocrotaline against
p53, HGF and TREM1 proteins which play a threatening role in causing hepatocellular carcinoma. The mode of action of monocrotaline
was determined experimentally by in vitro techniques such as XTT assay, NRU assay and whole cell brine shrimp assay have further
supported our in silico studies. The in vitro cytotoxicity of monocrotaline was proved at IC50 24.966 µg/mL and genotoxicity at 2 X IC50
against HepG2 cells. Further, the credible druglike properties with non-mutagenicity, non-toxic on mammalian fibroblast and the
potential antineoplastic activity through in vitro experimental validations established monocrotaline as a novel scaffold for liver cancer
with superior efficacy and lesser side effects.
Keywords: DNA laddering, docking, monocrotaline, NRU assay and brine shrimp assay, PASS, XTT assay.
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