Molecular Docking Studies of Active Phytochemicals from Leaf Extracts of Pseuderanthemum bicolor (SIMS) Radik with Alpha-amylase Inhibition Potential
Pseuderanthemum bicolor usually named limang-sugat owned by the kin Acanthaceae. Leaves of P.bicolor were extracted accompanying intoxicating, toxin and ethyl acetate. The extracts were rule for beginning-amylase restriction assay and rendezvousing study utilizing GC-MS analysis result. Leaf extracts were processed by usually clear plan and have existed judged for beginning-amylase restriction assay and protein-ligand mooring study against alpha-amylase protein. Among the three various extracts most meaningful something which incites activity hindrance was displayed by ethyl acetate extract accompanying topmost hindrance of 43.1% at 1mg/ml concentration. The citation drug acarbose disclosed 96% restriction at 0.5mg/ml aggregation. The big bioactive compounds got from intoxicating, chloroform and ethyl acetate extracts were 1,6;2,3-Dianhydro-4-Deoxy-Beta-D-Ribo-Hexopyranose, Pseduosarsasapogenin-5,20-Dien,Methyl Ether/ Hexatriacontane, Di-N-Decylsulfone/Octadecanal, Squalene individually. A total of 19 subordinate metabolites were proven for protein-ligand hooking up against beginning-amylase protein, accompanying the remark drug acarbose professed a binding energy of -7.8 Kcal/mol and making 20 hydrogen bonds accompanying the catalyst. Among the 19 test ligands, ‘2,2-Dibromocholestanone’from ethyl acetate extract manifested topmost separation energy of -9.3 Kcal/mol. The next best extraordinary inhibition was demonstrated by ‘Pseduosarsasapogenin-5,20-Dien Methyl Ether’ present in the intoxicating extract, accompanying a separation energy of -9.3 Kcal/mol accompanying the establishment of 2 hydrogen bonds. From the result maybe decided that the P. bicolor contain productive bioactive compounds, needs further research on pharmacological facets to evolve a novel drugs.
B. S. Ramesh,
Department of Botany, Nrupathunga University, Bengaluru, India.
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Keywords: GC-MS, protein-ligand docking, acarbose, p.bicolor. 2, 2-dibromocholestanone, pseduosarsasapogenin-5, 20-dien methyl ether, methanol, chloroform, ethyl acetate, phytochemicals