(Q42723072)

5 November 2017

Studies of new fused benzazepine as selective dopamine D3 receptor antagonists using 3D-QSAR, molecular docking and molecular dynamics (English)

1 reference

https://api.crossref.org/works/10.3390/IJMS12021196

5 November 2017

Studies of New Fused Benzazepine as Selective Dopamine D3 Receptor Antagonists Using 3D-QSAR, Molecular Docking and Molecular Dynamics (English)

1 reference

1 December 2024

1 reference

quantitative structure-activity relationship

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A21541053

1 December 2024

Jing Liu

1 reference

5 November 2017

Yan Li

1 reference

5 November 2017

Shuwei Zhang

1 reference

5 November 2017

Zhengtao Xiao

1 reference

5 November 2017

Chunzhi Ai

1 reference

5 November 2017

language of work or name

English

0 references

publication date

18 February 2011

1 reference

full work available at URL

5 November 2017

https://www.mdpi.com/1422-0067/12/2/1196/pdf?version=1403141572

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A21541053

https://europepmc.org/articles/PMC3083700

1 December 2024

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A21541053

https://europepmc.org/articles/PMC3083700?pdf=render

1 December 2024

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A21541053

https://www.mdpi.com/1422-0067/12/2/1196/pdf

1 December 2024

1 reference

https://api.crossref.org/works/10.3390/IJMS12021196

International Journal of Molecular Sciences

1 December 2024

published in

1 reference

5 November 2017

1 reference

5 November 2017

1 reference

5 November 2017

1196-1221

1 reference

Creative Commons Attribution 4.0 International

5 November 2017

start time

18 February 2011

1 reference

April 2022 Public Data File from Crossref

copyrighted

0 references

cites work

In Silico Prediction of Estrogen Receptor Subtype Binding Affinity and Selectivity Using Statistical Methods and Molecular Docking with 2-Arylnaphthalenes and 2-Arylquinolines

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Mechanism of microRNA-target interaction: molecular dynamics simulations and thermodynamics analysis

27 May 2018

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Molecular fields in drug discovery: getting old or reaching maturity?

27 May 2018

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Insight into the structural requirements of proton pump inhibitors based on CoMFA and CoMSIA studies

27 May 2018

1 reference

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Selective dopamine D3 receptor antagonists: a review 2001-2005.

27 May 2018

1 reference

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Effect of the selective dopamine D3 receptor antagonist SB-277011-A on regional c-Fos-like expression in rat forebrain

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Computer-aided drug discovery and development (CADDD): in silico-chemico-biological approach

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methods

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

The structural evolution of dopamine D3 receptor ligands: structure-activity relationships and selected neuropharmacological aspects

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

A combined approach of docking and 3D QSAR study of beta-ketoacyl-acyl carrier protein synthase III (FabH) inhibitors

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

The Amber biomolecular simulation programs

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Utility of homology models in the drug discovery process.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

SuperPose: a simple server for sophisticated structural superposition

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Development and testing of a general amber force field

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Interactive SAR studies: rational discovery of super-potent and highly selective dopamine D3 receptor antagonists and partial agonists

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Structure-activity relationships of multidrug resistance reversers

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Novel 2,3,4,5-tetrahydro-1H-3-benzazepines with high affinity and selectivity for the dopamine D3 receptor

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Evidence for antagonist activity of the dopamine D3 receptor partial agonist, BP 897, at human dopamine D3 receptor.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Crystal structure of rhodopsin: A G protein-coupled receptor

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Aminotetralin drugs and D3 receptor functions. What may partially selective D3 receptor ligands tell us about dopamine D3 receptor functions?

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Molecular cloning and characterization of a novel dopamine receptor (D3) as a target for neuroleptics

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Studies of benzothiadiazine derivatives as hepatitis C virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamics

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

3D-QSAR study on atmospheric half-lives of POPs using CoMFA and CoMSIA.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Insight into the effects of chiral isomers quinidine and quinine on CYP2D6 inhibition

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Analysis of binding residues between scorpion neurotoxins and D2 dopamine receptor: a computational docking study

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part one: [h]-fused tricyclic systems

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part 2: [g]-fused and hetero-fused systems

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

A theoretical study to investigate D2DAR/D4DAR selectivity: receptor modeling and molecular docking of dopaminergic ligands.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

The role of QSAR in dopamine interactions

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Ranking of aquatic toxicity of esters modelled by QSAR.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

3D-QSAR CoMFA, CoMSIA studies on substituted ureas as Raf-1 kinase inhibitors and its confirmation with structure-based studies

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Development of CoMFA, advance CoMFA and CoMSIA models in pyrroloquinazolines as thrombin receptor antagonist

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

ESyPred3D: Prediction of proteins 3D structures

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3083700

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

16 August 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS12021196

Simple Method of Calculating Octanol/Water Partition Coefficient

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS12021196

PROCHECK: a program to check the stereochemical quality of protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS12021196

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS12021196

CoMFA and CoMSIA investigations of dopamine D3 receptor ligands leading to the prediction, synthesis, and evaluation of rigidized FAUC 365 analogues

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS12021196

An automatic homology modeling method consisting of database searches and simulated annealing

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS12021196

Investigation on QSAR and binding mode of a new class of human rhinovirus-14 inhibitors by CoMFA and docking experiments

21 January 2018

1 reference

12 December 2020

The role of central dopamine D3 receptors in drug addiction: a review of pharmacological evidence

1 reference

12 December 2020

Studies of 3D-quantitative structure-activity relationships on a set of nitroaromatic compounds: CoMFA, advanced CoMFA and CoMSIA

1 reference

12 December 2020

ELECTRONIC STRUCTURE OF THE ALPHA-AMINO ACIDS OF PROTEINS. I. CHARGE DISTRIBUTIONS AND PROTON CHEMICAL SHIFTS

1 reference

12 December 2020

MOLECULAR VIBRATIONS OF QUINONES. VI. A VIBRATIONAL ASSIGNMENT FOR P-BENZOQUINONE AND SIX ISOTOPIC DERIVATIVES. THERMODYNAMIC FUNCTIONS OF P-BENZOQUINONE

1 reference

12 December 2020

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 ...

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00063A006

A smooth particle mesh Ewald method

12 September 2021

1 reference

https://api.crossref.org/works/10.3390/IJMS12021196

1 December 2024

Identifiers

DOI

10.3390/IJMS12021196

1 reference

release_uon6kq32mzgrtd27txsdkk3j24

5 November 2017

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/uon6kq32mzgrtd27txsdkk3j24

24 November 2022

mapped directly with Wikidata item

1 reference

5 November 2017

1 reference