Pai, K. Usha S.; Bodke, Yadav D.; Manandhar, Suman; Pai, K. Sreedhara Ranganath published the artcile< In silico-Based Virtual Screening and Molecular Docking Analysis of Phytochemicals obtained from Methanolic Extract of Cleome viscosa Linn. by GC-MS Method for its Anticancer Activity>, COA of Formula: C19H34O2, the main research area is Cleome viscosa phytochem virtual screening mol docking anticancer activity.
Cleome viscosa belonging to the family Capparidaceae, is a weed with ethano-botanical value found in India. In the present investigation, methanolic extract of Cleome viscosa was analyzed by gas chromatog.-mass spectrometry (GC-MS) to identify the important phytochem. constituents. The GC-MS anal. of methanol from whole plant of Cleome viscosa detected the presence of 78 phytochem. compounds Quant. phytochem. evaluation of the methanolic extract of Cleome viscosa was performed. These identified compounds were analyzed for their anticancer activity through in silico mol. docking studies. Computation based in silico docking studies were done using maestro interface. Three protein, poly (ADP-ribose) polymerase-1 (PARP-1), epidermal growth factor receptor (EGFR), human papilloma virus (HPV) specific to different cancers were selected for screening of these phytochems. Phytomols. with better activity and binding were shortlisted after XP mode of docking. The dock score, glide energy and 2D binding interactions of the top five phytochems. with three selected proteins have been discussed. The identified hit could be a potent inhibitor these proteins that further requires exptl. validation.
Asian Journal of Chemistry published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.
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Ester – an overview | ScienceDirect Topics