orlistat and aurone

orlistat has been researched along with aurone* in 1 studies

Other Studies

1 other study(ies) available for orlistat and aurone

Article	Year
Exploring Aurone Derivatives as Potential Human Pancreatic Lipase Inhibitors through Molecular Docking and Molecular Dynamics Simulations. Molecules (Basel, Switzerland), 2020, Oct-13, Volume: 25, Issue:20 Inhibition of human pancreatic lipase, a crucial enzyme in dietary fat digestion and absorption, is a potent therapeutic approach for obesity treatment. In this study, human pancreatic lipase inhibitory activity of aurone derivatives was explored by molecular modeling approaches. The target protein was human pancreatic lipase (PDB ID: 1LPB). The 3D structures of 82 published bioactive aurone derivatives were docked successfully into the protein catalytic active site, using AutoDock Vina 1.5.7.rc1. Of them, 62 compounds interacted with the key residues of catalytic trial Ser152-Asp176-His263. The top hit compound ( Topics: Benzofurans; Catalytic Domain; Enzyme Inhibitors; Humans; Hydrogen Bonding; Ligands; Lipase; Molecular Docking Simulation; Molecular Dynamics Simulation; Orlistat	2020

Article

Year

Exploring Aurone Derivatives as Potential Human Pancreatic Lipase Inhibitors through Molecular Docking and Molecular Dynamics Simulations.

Molecules (Basel, Switzerland), 2020, Oct-13, Volume: 25, Issue:20

Inhibition of human pancreatic lipase, a crucial enzyme in dietary fat digestion and absorption, is a potent therapeutic approach for obesity treatment. In this study, human pancreatic lipase inhibitory activity of aurone derivatives was explored by molecular modeling approaches. The target protein was human pancreatic lipase (PDB ID: 1LPB). The 3D structures of 82 published bioactive aurone derivatives were docked successfully into the protein catalytic active site, using AutoDock Vina 1.5.7.rc1. Of them, 62 compounds interacted with the key residues of catalytic trial Ser152-Asp176-His263. The top hit compound (

Topics: Benzofurans; Catalytic Domain; Enzyme Inhibitors; Humans; Hydrogen Bonding; Ligands; Lipase; Molecular Docking Simulation; Molecular Dynamics Simulation; Orlistat

2020