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GPCR-Tailored Pharmacophore Pattern Recognition of Small Molecular Ligands

https://doi.org/10.1021/ci0303013
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What this work says

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

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Estimation of Physicochemical and ADME Parameters
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Pattern Classification
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Introduction
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Self-Organizing Maps
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Endothelin antagonism with bosentan: a review of potential applications
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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The design and synthesis of a novel series of indole derived selective ETA antagonists
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Structure–Activity relationships of 2-substituted 5,7-Diarylcyclopenteno[1,2-b]pyridine-6-carboxylic acids as a novel class of endothelin receptor antagonists
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HTS in the new millennium
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Target validation of G-protein coupled receptors
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Computational methods for the prediction of ‘drug-likeness’
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Advances in Determination of a High-Resolution Three-Dimensional Structure of Rhodopsin, a Model of G-Protein-Coupled Receptors (GPCRs),
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Pharmacokinetically Based Mapping Device for Chemical Space Navigation
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Selecting Screening Candidates for Kinase and G Protein-Coupled Receptor Targets Using Neural Networks
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A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds
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Recursive Median Partitioning for Virtual Screening of Large Databases
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Property-Based Design of GPCR-Targeted Library
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DISE: Directed Sphere Exclusion
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Design and Analysis of a Combinatorial Library of HEPT Analogues: Comparison of Selection Methodologies and Inspection of the Actually Covered Chemical Space
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Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins
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Structure-Based versus Property-Based Approaches in the Design of G-Protein-Coupled Receptor-Targeted Libraries
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Chemical Similarity Using Physiochemical Property Descriptors
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A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules
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An Alignment-Independent Versatile Structure Descriptor for QSAR and QSPR Based on the Distribution of Molecular Features
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Pharmacophore Fingerprinting. 2. Application to Primary Library Design
inferredcites →https://doi.org/10.1021/ja027644mopenalex-snapshot
2D Conformationally Sampled Pharmacophore: A Ligand-Based Pharmacophore To Differentiate δ Opioid Agonists from Antagonists
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Toward General Methods of Targeted Library Design: Topomer Shape Similarity Searching with Diverse Structures as Queries
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Pharmacophore Mapping of a Series of 2,4-Diamino-5-deazapteridine Inhibitors of Mycobacterium avium Complex Dihydrofolate Reductase
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Identification of Novel Cyclooxygenase-2 Selective Inhibitors Using Pharmacophore Models
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Identification of Nonpeptidic Urotensin II Receptor Antagonists by Virtual Screening Based on a Pharmacophore Model Derived from Structure−Activity Relationships and Nuclear Magnetic Resonance Studies on Urotensin II
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Simple Selection Criteria for Drug-like Chemical Matter
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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
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A Scoring Scheme for Discriminating between Drugs and Nondrugs
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The use of constitutively active GPCRs in drug discovery and functional genomics
inferredcites →https://doi.org/10.1101/gr.1087603openalex-snapshot
G Protein-Coupled Receptor Genes in the FANTOM2 Database
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The Sequence of the Human Genome
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inferredcites →https://doi.org/10.1590/s0103-50532002000600008openalex-snapshot
Seeking novel leads through structure-based pharmacophore design
inferredcites →https://doi.org/10.3233/ida-2001-5502openalex-snapshot
On the use of self-organizing maps for clustering and visualization

What points at this work

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

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The GPCR — 7TM Receptor Target Family
inferred← citeshttps://doi.org/10.1002/chin.200431200openalex-snapshot
GPCR‐Tailored Pharmacophore Pattern Recognition of Small Molecular Ligands.
inferred← citeshttps://doi.org/10.1002/cmdc.200600134openalex-snapshot
The 7 TM G‐Protein‐Coupled Receptor Target Family
inferred← citeshttps://doi.org/10.1002/minf.201000100openalex-snapshot
Chemoinformatics as a Theoretical Chemistry Discipline
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A chemogenomic analysis of the transmembrane binding cavity of human G‐protein‐coupled receptors
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Identification and Classification of GPCR Ligands Using Self-Organizing Neural Networks
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Designing Compound Libraries Targeting GPCRs
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Cytochrome P450 Classification of Drugs with Support Vector Machines Implementing the Nearest Point Algorithm
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CCR5 antagonists: from discovery to clinical efficacy
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GPCRLigNet: rapid screening for GPCR active ligands using machine learning
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Data Visualization during the Early Stages of Drug Discovery
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Assessing the Predictive Power of Unsupervised Visualization Techniques to Improve the Identification of GPCR-Focused Compound Libraries
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Flexophore, a New Versatile 3D Pharmacophore Descriptor That Considers Molecular Flexibility
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Comparison of Ligand- and Structure-Based Virtual Screening on the DUD Data Set
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Quantitative Conformationally Sampled Pharmacophore for δ Opioid Ligands: Reevaluation of Hydrophobic Moieties Essential for Biological Activity
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G protein-coupled receptors: structure- and function-based drug discovery
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Pharmacophore-based Virtual Screening in Drug Discovery
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Molecular similarity: a key technique in molecular informatics
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Molecular modeling of mono- and bis-quaternary ammonium salts as ligands at the α4β2 nicotinic acetylcholine receptor subtype using nonlinear techniques
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