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Combining Ligand-Based Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis and in Silico Screening for the Discovery of New Potent Hormone Sensitive Lipase Inhibitors

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/3527601910.ch7openalex-snapshot
High‐throughput Screening of Hormone‐sensitive Lipase and Subsequent Computer‐assisted Compound Optimization
inferredcites →https://doi.org/10.1002/9783906390406openalex-snapshot
Computer‐Assisted Lead Finding and Optimization
inferredcites →https://doi.org/10.1002/jcc.540160205openalex-snapshot
Poling: Promoting conformational variation
inferredcites →https://doi.org/10.1002/series6138openalex-snapshot
Methods and Principles in Medicinal Chemistry
inferredcites →https://doi.org/10.1007/s00125-002-0873-yopenalex-snapshot
Adipose tissue as a buffer for daily lipid flux
inferredcites →https://doi.org/10.1016/j.bmc.2004.12.042openalex-snapshot
Structure–activity relationship for aryl and heteroaryl boronic acid inhibitors of hormone-sensitive lipase
inferredcites →https://doi.org/10.1016/j.bmc.2007.10.076openalex-snapshot
Discovery of new MurF inhibitors via pharmacophore modeling and QSAR analysis followed by in-silico screening
inferredcites →https://doi.org/10.1016/j.bmcl.2003.09.028openalex-snapshot
Successful shape-Based virtual screening: The discovery of a potent inhibitor of the type I TGFβ receptor kinase (TβRI)
inferredcites →https://doi.org/10.1016/j.bmcl.2004.01.038openalex-snapshot
Carbazates as potent inhibitors of hormone-sensitive lipase
inferredcites →https://doi.org/10.1016/j.bmcl.2004.04.015openalex-snapshot
In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase
inferredcites →https://doi.org/10.1016/j.bmcl.2006.08.069openalex-snapshot
Discovery of potent inhibitors of pseudomonal quorum sensing via pharmacophore modeling and in silico screening
inferredcites →https://doi.org/10.1016/j.ejmech.2004.10.014openalex-snapshot
Ligand-based assessment of factor Xa binding site flexibility via elaborate pharmacophore exploration and genetic algorithm-based QSAR modeling
inferredcites →https://doi.org/10.1016/j.jmgm.2006.08.008openalex-snapshot
Discovery of new potent human protein tyrosine phosphatase inhibitors via pharmacophore and QSAR analysis followed by in silico screening
inferredcites →https://doi.org/10.1016/s0021-9258(18)51687-2openalex-snapshot
Metabolism of Isolated Fat Cells
inferredcites →https://doi.org/10.1016/s0165-6147(00)01506-6openalex-snapshot
Potential new treatments for type 2 diabetes
inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0223-5234(97)82770-5openalex-snapshot
Computer-assisted lead finding and optimization, current tools for medicinal chemistry
inferredcites →https://doi.org/10.1016/s1359-6446(02)02411-xopenalex-snapshot
Why do we need so many chemical similarity search methods?
inferredcites →https://doi.org/10.1021/ci950273ropenalex-snapshot
Identification of Common Functional Configurations Among Molecules
inferredcites →https://doi.org/10.1021/jm020017nopenalex-snapshot
Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
inferredcites →https://doi.org/10.1021/jm020460yopenalex-snapshot
Pyrrolopyrazinedione-Based Inhibitors of Human Hormone-Sensitive Lipase
inferredcites →https://doi.org/10.1021/jm021032vopenalex-snapshot
Non-Peptide Angiotensin II Receptor Antagonists: Chemical Feature Based Pharmacophore Identification
inferredcites →https://doi.org/10.1021/jm031004sopenalex-snapshot
Synthesis and Structure−Activity Relationship for a Novel Class of Potent and Selective Carbamoyl-Triazole Based Inhibitors of Hormone Sensitive Lipase
inferredcites →https://doi.org/10.1021/jm0607653openalex-snapshot
Synthesis and Structure−Activity Relationship for a Novel Class of Potent and Selective Carbamate-Based Inhibitors of Hormone Selective Lipase with Acute In Vivo Antilipolytic Effects
inferredcites →https://doi.org/10.1021/jm7009765openalex-snapshot
Pharmacophore Modeling, Quantitative Structure–Activity Relationship Analysis, and in Silico Screening Reveal Potent Glycogen Synthase Kinase-3β Inhibitory Activities for Cimetidine, Hydroxychloroquine, and Gemifloxacin
inferredcites →https://doi.org/10.1042/bst0311120openalex-snapshot
Molecular mechanisms regulating hormone-sensitive lipase and lipolysis
inferredcites →https://doi.org/10.1055/s-2007-990271openalex-snapshot
Adipose Tissue and Diabetes Therapy: Do We Hit the Target?
inferredcites →https://doi.org/10.1055/s-2007-990273openalex-snapshot
Contribution of Triglyceride-rich Lipoproteins to Plasma Free Fatty Acids
inferredcites →https://doi.org/10.1073/pnas.121164498openalex-snapshot
Tissue-specific overexpression of lipoprotein lipase causes tissue-specific insulin resistance
inferredcites →https://doi.org/10.1073/pnas.90.11.4897openalex-snapshot
Gene organization and primary structure of human hormone-sensitive lipase: possible significance of a sequence homology with a lipase of Moraxella TA144, an antarctic bacterium.
inferredcites →https://doi.org/10.1093/oxfordjournals.jbchem.a022377openalex-snapshot
Relationship between Hormone-Sensitive Lipolysis and Lipase Activity in Rat Fat Cells
inferredcites →https://doi.org/10.1186/1743-7075-3-12openalex-snapshot
Hormone-Sensitive Lipase Knockouts
inferredcites →https://doi.org/10.2174/0929867013372481openalex-snapshot
Pharmacophore Modeling and Three-dimensional Database Searching for Drug Design Using Catalyst
inferredcites →https://doi.org/10.2174/187153007780059423openalex-snapshot
Role of Insulin in the Pathogenesis of Free Fatty Acid-Induced Insulin Resistance in Skeletal Muscle
inferredcites →https://doi.org/10.2307/2685617openalex-snapshot
The Statistical Sleuth

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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inferred← citeshttps://doi.org/10.1002/jcc.21635openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jmr.2604openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_11openalex-snapshot
Pharmacophore-Based Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-3-319-27282-5_54openalex-snapshot
Recent Developments in 3D QSAR and Molecular Docking Studies of Organic and Nanostructures
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_54-1openalex-snapshot
Recent Developments in 3D QSAR and Molecular Docking Studies of Organic and Nanostructures
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inferred← citeshttps://doi.org/10.1007/s00044-013-0616-2openalex-snapshot
Design, synthesis and structure–activity relationship of new HSL inhibitors guided by pharmacophore models
inferred← citeshttps://doi.org/10.1007/s00044-014-0966-4openalex-snapshot
Elaborate ligand-based modeling reveals new human neutrophil elastase inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-014-1144-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00044-017-1976-9openalex-snapshot
Docking-based comparative intermolecular contacts analysis and in silico screening reveal new potent acetylcholinesterase inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-019-02377-7openalex-snapshot
QSAR-guided pharmacophore modeling and subsequent virtual screening identify novel TYK2 inhibitor
inferred← citeshttps://doi.org/10.1007/s00044-023-03057-3openalex-snapshot
Development of phosphoinositide 3-kinase delta (PI3Kδ) inhibitors as potential anticancer agents through the generation of ligand-based pharmacophores and biological screening
inferred← citeshttps://doi.org/10.1007/s00280-025-04767-8openalex-snapshot
Evolution of computational techniques against various KRAS mutants in search for therapeutic drugs: a review article
inferred← citeshttps://doi.org/10.1007/s00894-010-0737-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00894-014-2080-4openalex-snapshot
Discovery of novel urokinase plasminogen activator (uPA) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis
inferred← citeshttps://doi.org/10.1007/s10822-010-9322-zopenalex-snapshot
Development of predictive pharmacophore model for in silico screening, and 3D QSAR CoMFA and CoMSIA studies for lead optimization, for designing of potent tumor necrosis factor alpha converting enzyme inhibitors
inferred← citeshttps://doi.org/10.1007/s10822-011-9509-yopenalex-snapshot
Elaborate ligand-based modeling reveal new submicromolar Rho kinase inhibitors
inferred← citeshttps://doi.org/10.1007/s10822-013-9699-6openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-021-00435-0openalex-snapshot
Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case study
inferred← citeshttps://doi.org/10.1007/s10822-026-00919-xopenalex-snapshot
Computational identification of potential VEGFR2 inhibitors using integrated pharmacophore modeling, QSAR analysis, molecular docking, dynamics simulation, and virtual screening followed by in vitro bioassays
inferred← citeshttps://doi.org/10.1007/s11030-024-10814-yopenalex-snapshot
Ligand-based pharmacophore modeling and machine learning for the discovery of potent aurora A kinase inhibitory leads of novel chemotypes
inferred← citeshttps://doi.org/10.1007/s11696-026-05026-7openalex-snapshot
Discovery of potent VEGFR2 inhibitors as anticancer target, using pharmacophore based virtual screening, molecular docking and molecular dynamics simulation
inferred← citeshttps://doi.org/10.1007/s43440-019-00013-0openalex-snapshot
Inhibition of monoglyceride lipase by proton pump inhibitors: investigation using docking and in vitro experiments
inferred← citeshttps://doi.org/10.1007/s43450-020-00055-zopenalex-snapshot
Plant Products and Their Inhibitory Activity Against Pancreatic Lipase
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.11305-8openalex-snapshot
Applications of Pharmacophore Mapping☆
inferred← citeshttps://doi.org/10.1016/j.arabjc.2022.104232openalex-snapshot
LC-MS/MS based metabolite profiling and lipase enzyme inhibitory activity of Kaempferia angustifolia Rosc. with different extracting solvents
inferred← citeshttps://doi.org/10.1016/j.bmc.2010.03.043openalex-snapshot
Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent β-secretase inhibitory leads
inferred← citeshttps://doi.org/10.1016/j.bmc.2011.06.086openalex-snapshot
Ligand-based modelling followed by synthetic exploration unveil novel glycogen phosphorylase inhibitory leads
inferred← citeshttps://doi.org/10.1016/j.bmc.2011.10.071openalex-snapshot
Elaborate ligand-based modeling and subsequent synthetic exploration unveil new nanomolar Ca2+/calmodulin-dependent protein kinase II inhibitory leads
inferred← citeshttps://doi.org/10.1016/j.bmc.2017.02.045openalex-snapshot
Identification of a novel hormone sensitive lipase inhibitor with a reduced potential of reactive metabolites formation
inferred← citeshttps://doi.org/10.1016/j.bmc.2017.07.028openalex-snapshot
Design, synthesis, and pharmacological evaluation of a novel series of hormone sensitive lipase inhibitor
inferred← citeshttps://doi.org/10.1016/j.cbi.2016.03.006openalex-snapshot
Discovery of new selective cytotoxic agents against Bcl-2 expressing cancer cells using ligand-based modeling
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2017.10.003openalex-snapshot
Ligand-based computational modelling of platelet-derived growth factor beta receptor leading to new angiogenesis inhibitory leads
inferred← citeshttps://doi.org/10.1016/j.ejmech.2009.12.070openalex-snapshot
Discovery of new cholesteryl ester transfer protein inhibitors via ligand-based pharmacophore modeling and QSAR analysis followed by synthetic exploration
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.06.034openalex-snapshot
Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.03.040openalex-snapshot
Discovery of new nanomolar peroxisome proliferator-activated receptor γ activators via elaborate ligand-based modeling
inferred← citeshttps://doi.org/10.1016/j.ejmech.2014.07.056openalex-snapshot
Discovery of nanomolar phosphoinositide 3-kinase gamma (PI3Kγ) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.01.034openalex-snapshot
Ligand-based modeling of diverse aryalkylamines yields new potent P-glycoprotein inhibitors
inferred← citeshttps://doi.org/10.1016/j.ejps.2016.08.031openalex-snapshot
Chemoproteomic, biochemical and pharmacological approaches in the discovery of inhibitors targeting human α/β-hydrolase domain containing 11 (ABHD11)
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Design of new molecules against cervical cancer using DFT, theoretical spectroscopy, 2D/3D-QSAR, molecular docking, pharmacophore and ADMET investigations
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2011.02.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2012.04.001openalex-snapshot
Extensive ligand-based modeling and in silico screening reveal nanomolar inducible nitric oxide synthase (iNOS) inhibitors
inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.02.009openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.03.003openalex-snapshot
Elaborate ligand-based modeling reveal new migration inhibitory factor inhibitors
inferred← citeshttps://doi.org/10.1016/j.jmgm.2014.12.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2018.02.001openalex-snapshot
Ligand-based modeling of Akt3 lead to potent dual Akt1/Akt3 inhibitor
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2020.107615openalex-snapshot
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inferred← citeshttps://doi.org/10.1111/cbdd.13463openalex-snapshot
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inferred← citeshttps://doi.org/10.1111/j.1747-0285.2011.01160.xopenalex-snapshot
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inferred← citeshttps://doi.org/10.21767/2469-6692.10006openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/diagnostics12051120openalex-snapshot
Analytical Validation of GFRNMR: A Blood-Based Multiple Biomarker Assay for Accurate Estimation of Glomerular Filtration Rate
inferred← citeshttps://doi.org/10.3390/ph15091122openalex-snapshot
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inferred← citeshttps://doi.org/10.4155/fmc-2016-0056openalex-snapshot
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inferred← citeshttps://doi.org/10.4155/fmc-2017-0061openalex-snapshot
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inferred← citeshttps://doi.org/10.4172/neuropsychiatry.1000438openalex-snapshot
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inferred← citeshttps://doi.org/10.5897/jmpr.9000019openalex-snapshot
A potential role of Lavandula angustifolia in the management of diabetic dyslipidemia
inferred← citeshttps://doi.org/10.5897/jmpr.9000706openalex-snapshot
Hormone sensitive lipase inhibition by selected medicinal plants
inferred← citeshttps://doi.org/10.5897/jmpr10.399openalex-snapshot
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