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PENG: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation, and Virtual Screening for Novel Ligands of LTA4H

https://doi.org/10.1021/ci500618u
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Outgoing claims: the papers this work cites, builds on, or argues with.

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“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
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inferredcites →https://doi.org/10.1021/ci300154nopenalex-snapshot
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods
inferredcites →https://doi.org/10.1021/ci400020aopenalex-snapshot
An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs
inferredcites →https://doi.org/10.1021/jm300687eopenalex-snapshot
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
inferredcites →https://doi.org/10.1021/jm900259hopenalex-snapshot
Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography
inferredcites →https://doi.org/10.1021/jm900817uopenalex-snapshot
Three-Dimensional Pharmacophore Methods in Drug Discovery
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Structure−Activity Relationship Studies on 1-[2-(4-Phenylphenoxy)ethyl]pyrrolidine (SC-22716), a Potent Inhibitor of Leukotriene A4 (LTA4) Hydrolase
inferredcites →https://doi.org/10.1023/a:1008194019144openalex-snapshot
Computational methods for the structural alignment of molecules
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Binding of Pro-Gly-Pro at the active site of leukotriene A 4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor
inferredcites →https://doi.org/10.1074/jbc.m106577200openalex-snapshot
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Leukotriene A4 Hydrolase/Aminopeptidase, the Gatekeeper of Chemotactic Leukotriene B4 Biosynthesis
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What points at this work

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

inferred← citeshttps://doi.org/10.1002/cmdc.202100118openalex-snapshot
Development and in vitro Profiling of Dual FXR/LTA4H Modulators
inferred← citeshttps://doi.org/10.1002/wcms.1640openalex-snapshot
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods
inferred← citeshttps://doi.org/10.1007/7653_2015_46openalex-snapshot
Pharmacophore Modeling: Methods and Applications
inferred← citeshttps://doi.org/10.1007/s10822-017-0023-8openalex-snapshot
MolAlign: an algorithm for aligning multiple small molecules
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12346-7openalex-snapshot
2/3D Pharmacophore Definitions and Their Application
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00005-4openalex-snapshot
2/3D Pharmacophore definitions and their application
inferred← citeshttps://doi.org/10.1016/j.bcp.2022.115191openalex-snapshot
Compilation and evaluation of a fatty acid mimetics screening library
inferred← citeshttps://doi.org/10.1016/j.bmc.2016.08.047openalex-snapshot
Thermodynamic properties of leukotriene A4 hydrolase inhibitors
inferred← citeshttps://doi.org/10.1016/j.bpj.2026.03.027openalex-snapshot
Uncovering the role of dimerization on dynamics and inhibitor stability in human versus Xenopus LTA4H
inferred← citeshttps://doi.org/10.1016/j.chembiol.2019.01.001openalex-snapshot
Gliotoxin from Aspergillus fumigatus Abrogates Leukotriene B4 Formation through Inhibition of Leukotriene A4 Hydrolase
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00216openalex-snapshot
Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00757openalex-snapshot
Conservation and Relevance of Pharmacophore Point Types
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.0c00102openalex-snapshot
Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.9b00330openalex-snapshot
Design of Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase
inferred← citeshttps://doi.org/10.1039/d5dt00346fopenalex-snapshot
Palladium( ii ) and platinum( ii ) complexes of disubstituted imidazo[1,5- a ]pyridine and imidazolylpyridine: coordination chemistry, versatile catalysis, and biophysical study
inferred← citeshttps://doi.org/10.1080/1062936x.2021.1910862openalex-snapshot
Classification and QSAR models of leukotriene A4 hydrolase (LTA4H) inhibitors by machine learning methods
inferred← citeshttps://doi.org/10.1096/fj.15-275487openalex-snapshot
Lipoxin and resolvin biosynthesis is dependent on 5‐lipoxygenase activating protein
inferred← citeshttps://doi.org/10.3390/molecules23123075openalex-snapshot
Design, Synthesis, and Evaluation of Alkyl-Quinoxalin-2(1H)-One Derivatives as Anti-Quorum Sensing Molecules, Inhibiting Biofilm Formation in Aeromonas caviae Sch3
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