ArticleMolecules (Basel, Switzerland)2020
Exploring Aurone Derivatives as Potential Human Pancreatic Lipase Inhibitors through Molecular Docking and Molecular Dynamics Simulations.
Article in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Microbial biotransformation of Syzygium australe modifies metabolomic profile assessed with multivariate analysis and molecular networking: In vitro and computational studies.Scientific reports · 2026Article
- In-silico study of the bioactive compounds of Blighia sapida koenig revealed a novel Plasmodium falciparum dihydroorotate dehydrogenase inhibitor for malaria.Scientific reports · 2026Article
- Identification of Potential Pancreatic Lipase Inhibitors from Traditional Chinese Medicines via Molecular Docking, Molecular Dynamics Simulation and In Vitro Validation.Current issues in molecular biology · 2026Article
- Expanding cholinesterase function: kinetic and structural evidence for hydrolysis of long-chain fatty-acid esters.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Understanding Anti-Obesity Potential of Four Porphyrin Compounds by Investigating Pancreatic Lipase Inhibition.Molecules (Basel, Switzerland) · 2025Article
- Exploring flavonoid derivatives as potential pancreatic lipase inhibitors for obesity management: An in silico and in vitro study.Molecular diversity · 2025Article
- Integrating LC-MS/MS and In Silico Methods to Uncover Bioactive Compounds with Lipase Inhibitory Potential in the Antarctic Moss Warnstorfia fontinaliopsis.Applied biochemistry and biotechnology · 2025Article
- Bioprospecting Antarctic Microorganisms: InvestigatingJournal of microbiology and biotechnology · 2025Article
- Antilipase activities of cultivated peppermint and rosemary essential oils: in vitro and in silico studies.Turkish journal of biology = Turk biyoloji dergisi · 2025Article
- Exploring 1-Azaaurones: A Concise Overview of Synthetic Strategies and Biological Activities.Medicinal chemistry (Shariqah (United Arab Emirates)) · 2025Review
- Association of Butyryl Cholinesterase and Recurrent Ischemic Stroke: A Cross-Sectional Study.International journal of general medicine · 2025Article
- A concise update on the synthetic transformation of auronesRSC advances · 2024Review
- Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytes.BMC complementary medicine and therapies · 2023Article
- Molecular structures, chemical descriptors, and pancreatic lipase (1LPB) inhibition by natural products: a DFT investigation and molecular docking prediction.Structural chemistry · 2023Article
- Metabolic profiling, antioxidant, and enzyme inhibition potential of Iris pseudacorus L. from Egypt and Japan: A comparative study.Scientific reports · 2023Article
- Inhibition of α-Glucosidase and Pancreatic Lipase Properties ofNutrients · 2022Article
- Discovery of Novel Epoxyketone Peptides as Lipase Inhibitors.Molecules (Basel, Switzerland) · 2022Article
- 2-Benzylidenebenzofuran-3(2RSC advances · 2021Article
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5 authors.
Funding
Abstract
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 (
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