Docking studies predict GPx inhibitory mechanisms behind antitumor activity of supercritical carbon dioxide black pepper bioactive fractions rich in piperine
FREE RADICAL BIOLOGY AND MEDICINE(2018)
摘要
Supercritical carbon dioxide extracts rich in piperine (SFE) (300 bar; 40 °C) solubilize black pepper ( Piper nigrum ) bioactive phytochemicals with antitumor effect. The aim of this study was to evaluate pro-oxidant status induced by SFE and its effect against Ehrlich ascites carcinoma in Balb-c mouse. Balb/c mice bearing-Ehrlich ascites carcinoma cells (EAC) (male; 22±2 g) received intraperitoneally SFE (100 mg/kg/d; 9 days) or saline. EAC inhibition/survival, antioxidant enzymes activity and GSH content were evaluated. USCF Chimera 1.11.2 /Autodock Vina 1.1.2 default parameters prepared/docked Glutathione Peroxidase (PDB 2OBI; 1.55 A) and piperine (PubChem CID 638024). SFE inhibit EAC (60%), increasing mice survival (46%) and enhancing activity of superoxide dismutase (4 fold), catalase (56 fold) and glutathione reductase (88%) meanwhile decreased glutatione peroxidase/GPx activity (75%) with GSH depletion (84%). Piperine-GPx poses showed H bonds and hydrophobic interactions near catalytic residues (Cys/Gln/Trp). Therefore, antitumor activity of SFE enhanced EAC pro-oxidative status related with antioxidant enzymes response insufficient to overcome induced oxidative stress. And protein docking suggest the GPx-Piperine interactions could contributed to inhibition of GPx.
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