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A 3D QSAR Study on a Set of Dopamine D 4 Receptor Antagonists

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What this work says

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

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D4 receptors and their antagonists

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Dopamine receptors and the dopamine hypothesis of schizophrenia

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The Use of Composite Crystal-field Environments in Molecular Recognition and the de Novo Design of Protein Ligands

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Sample-distance partial least squares: PLS optimized for many variables, with application to CoMFA

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MOPAC: A semiempirical molecular orbital program

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Modulation of the clozapine structure increases its selectivity for the dopamine D4 receptor

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Full-length cDNA cloning and distribution of human dopamine D4 receptor

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Neuroleptic drug-induced extrapyramidal syndromes and tardive dyskinesia

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Alcohol inversion of 17β-steroids

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Discovery of selective dopamine D4 receptor antagonists: 1-Aryloxy-3-(4-aryloxypiperidinyl)-2-propanols

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Binding of 2,4-disubstituted morpholines at human D4 dopamine receptors

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Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics

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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

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Cross-Validated R2-Guided Region Selection for Comparative Molecular Field Analysis: A Simple Method To Achieve Consistent Results

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Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity

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Biologically active conformers of phenothiazines and thioxanthenes. Further evidence for a ligand model of dopamine D2 receptor antagonists

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A structure-activity study of four dopamine D-1 and D-2 receptor antagonists, representing the phenylindan, -indene, and -indole structural classes of compounds

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Comparative Molecular Field Analysis of Dopamine D4 Receptor Antagonists Including 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine (L-745,870), and Clozapine

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Serotonergic properties of spiroxatrine enantiomers

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Conformational analysis and structural comparisons of (1R,3S)-(+)- and (1S,3R)-(-)-tefludazine, (S)-(+)- and (R)-(-)-octoclothepin, and (+)-dexclamol in relation to dopamine receptor antagonism and amine-uptake inhibition

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3-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine: An Antagonist with High Affinity and Selectivity for the Human Dopamine D4 Receptor

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(S)-(−)-4-[4-[2-(Isochroman-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide, a Selective Dopamine D4 Antagonist

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2-Phenyl-4(5)-[[4-(pyrimidin-2- yl)piperazin-1-yl]methyl]imidazole. A Highly Selective Antagonist at Cloned Human D 4 Receptors

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4-Heterocyclylpiperidines as Selective High-Affinity Ligands at the Human Dopamine D4 Receptor

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Three-Dimensional Quantitative Structure−Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa

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Methodological developments and strategies for a fast flexible superposition of drug-size molecules

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A pharmacophore model for dopamine D4 receptor antagonists

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Cloning of the gene for a human dopamine D4 receptor with high affinity for the antipsychotic clozapine

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Cloning of the gene for a human dopamine D5 receptor with higher affinity for dopamine than D1

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Receptor density as a factor governing the efficacy of the dopamine D4 receptor ligands, L‐745,870 and U‐101958 at human recombinant D4.4 receptors expressed in CHO cells

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Agranulocytosis in patients treated with clozapine

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D4/5-HT2A Receptor antagonists: LU-111995 and other potential new antipsychotics in development

What points at this work

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

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A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists.

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Comparison of 2D Similarity and 3D Superposition. Application to Searching a Conformational Drug Database.

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Pharmacophore Screening on Piperidinecarboxamides Derivatives Based on GALAHAD and CoMFA Models

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Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM‐MST solvation models in 3D‐QSAR

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Fingal: A Novel Approach to Geometric Fingerprinting and a Comparative Study of Its Application to 3D-QSAR Modelling

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The Effect of Molecular Fields, Lattice Spacing and Analysis Options on CoMFA Predictive Ability

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Dopamine Receptor Subtype-Selective Drugs: D2-Like Receptors

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Quantitative structure – activity relationship studies on membrane receptors inhibition by antipsychotic drugs. Application to schizophrenia treatment

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CoMFA and CoMSIA studies on a new series of xanthone derivatives against the oral human epidermoid carcinoma (KB) cancer cell line

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Effect of steric molecular field settings on CoMFA predictivity

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Homology modeling, molecular dynamic simulation, and docking based binding site analysis of human dopamine (D4) receptor

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3D-QSAR illusions

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www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices—the Py-CoMFA web application as tool to build models from pre-aligned datasets

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Classification of dopamine antagonists using functional feature hypothesis and topological descriptors

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Improved 3D-QSAR CoMFA of the dopamine transporter blockers with multiple conformations using the genetic algorithm

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Novel computational models for predicting dopamine interactions

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Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen

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Novel Receptor Surface Approach for 3D-QSAR: The Weighted Probe Interaction Energy Method

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Comparison of 2 D Similarity and 3 D Superposition. Application to Searching a Conformational Drug Database

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On the Stability of CoMFA Models

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The Effects of Biasing Torsional Mutations in a Conformational GA

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PharmID: Pharmacophore Identification Using Gibbs Sampling

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Systematic Statistical Comparison of Comparative Molecular Similarity Indices Analysis Molecular Fields for Computer-Aided Lead Optimization

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Trends and Plot Methods in MLR Studies

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Common Pharmacophore Identification Using Frequent Clique Detection Algorithm

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Partial Charge Calculation Method Affects CoMFA QSAR Prediction Accuracy

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Comparison Data Sets for Benchmarking QSAR Methodologies in Lead Optimization

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Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors

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Recent Progress in Development of Dopamine Receptor Subtype-Selective Agents: Potential Therapeutics for Neurological and Psychiatric Disorders

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Update 1 of: Recent Progress in Development of Dopamine Receptor Subtype-Selective Agents: Potential Therapeutics for Neurological and Psychiatric Disorders

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New Series of Morpholine and 1,4-Oxazepane Derivatives as Dopamine D4Receptor Ligands: Synthesis and 3D-QSAR Model

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CoMFA and CoMSIA Investigations Revealing Novel Insights into the Binding Modes of Dopamine D3 Receptor Agonists

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Structure−Selectivity Investigations of D2-Like Receptor Ligands by CoMFA and CoMSIA Guiding the Discovery of D3Selective PET Radioligands

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Dopamine D 2 , D 3 , and D 4 Selective Phenylpiperazines as Molecular Probes To Explore the Origins of Subtype Specific Receptor Binding

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3D-QSAR study indicates an enhancing effect of membrane ions on psychiatric drugs targeting serotonin receptor 5-HT1A

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Natural flavonoid derivatives as oral human epidermoid carcinoma cell inhibitors

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Leitstrukturoptimierung für Antiprotozoika und Erfolgreiche Leitstruktursuche für Metalloproteinasen: Ein Fragment-basiertes Virtuelles Screening Verfahren

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Structure-Based Drug Design for Dopamine D3 Receptor

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Recent Trends and Future Prospects in Computational GPCR Drug Discovery: From Virtual Screening to Polypharmacology

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MTD-comsia modelling of HMG-CoA reductase inhibitors

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QSAR-CoMSIA applied to antipsychotic drugs with their dopamine D2 and serotonine 5HT2A membrane receptors

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Chemical Structure-Biological Activity Models for Pharmacophores’ 3D-Interactions

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