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- W4312118843 abstract "The dipeptidyl peptidase-IV (DPP-IV) inhibitory activity of Khaya senegalensis extracts was evaluated. The DPP-IV from a rat kidney was purified to a purification fold of 2.3. Among extracts from K. senegalensis, the hexane extract had the best DPP-IV inhibitory activity, with IC50 value of 1.56±0.61 μg/mL and was fractionated to eleven fractions (A-K). Fraction I had the best DPP-IV inhibition via uncompetitive pattern. GC-MS analysis of fraction I showed that the major bioactive compounds were 3-amino-3-hydroxyimino-N-phenylpropanamide (1) and 11-(2-cyclopenten-1-yl)undecanoic acid (2), with good binding affinities toward DPP-IV, based on molecular docking,. They were then subjected to molecular dynamic simulation using WEBGRO and utilizing a GROMACS system for 100 ns. The 3-amino-3-hydroxyimino-N-phenylpropanamide-DPP-IV complex was more stable and compact than the other complex. K. senegalensis contains compounds like 1 that might be used for the design of new DPP-IV inhibitors." @default.
- W4312118843 created "2023-01-04" @default.
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- W4312118843 date "2023-01-10" @default.
- W4312118843 modified "2023-10-18" @default.
- W4312118843 title "Evaluating <i>Khaya senegalensis</i> for Dipeptidyl Peptidase‐IV Inhibition Using <i>in Vitro</i> Analysis and Molecular Dynamic Simulation of Identified Bioactive Compounds" @default.
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- W4312118843 doi "https://doi.org/10.1002/cbdv.202200909" @default.
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