Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT(1) and ET(A) receptor antagonists. (Q39015639)

From Wikidata

Jump to navigation Jump to search

scientific article published on December 2013

Language	Label	Description	Also known as
English	Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT(1) and ET(A) receptor antagonists.	scientific article published on December 2013

Statements

scholarly article

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT(1) and ET(A) receptor antagonists (English)

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

Karthikeyan Muthusamy

2

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

author name string

Khuraijam Dhanachandra Singh

1

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

language of work or name

1 reference

based on heuristic

inferred from title

publication date

1 December 2013

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

Acta Pharmacologica Sinica

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

34

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

12

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

1592-1606

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

Update 1 of: computational modeling approaches to structure-function analysis of G protein-coupled receptors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Pharmacophore filtering and 3D-QSAR in the discovery of new JAK2 inhibitors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

G protein- and agonist-bound serotonin 5-HT2A receptor model activated by steered molecular dynamics simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Interplay between miR-155, AT1R A1166C polymorphism, and AT1R expression in young untreated hypertensives.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Identification of novel bacterial histidine biosynthesis inhibitors using docking, ensemble rescoring, and whole-cell assays

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Homology modeling of G-protein-coupled receptors with X-ray structures on the rise

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Role of angiotensin II type 1 receptor antagonists in the treatment of hypertension in patients aged >or=65 years

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Ambrisentan, an endothelin receptor type A-selective endothelin receptor antagonist, for the treatment of pulmonary arterial hypertension

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Identification of novel serotonin 2C receptor ligands by sequential virtual screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Molecular modelling evaluation of the cytotoxic activity of podophyllotoxin analogues

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

New drug targets for pulmonary hypertension: Rho GTPases in pulmonary vascular remodelling

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Investigation of MM-PBSA rescoring of docking poses

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Using multiple templates to improve quality of homology models in automated homology modeling.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

MM-GB/SA rescoring of docking poses in structure-based lead optimization.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Clustal W and Clustal X version 2.0

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

A review of pulmonary arterial hypertension: role of ambrisentan

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Targeting angiotensin II type I receptors to reduce the risk of stroke in patients with hypertension.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Determining the environment of the ligand binding pocket of the human angiotensin II type I (hAT1) receptor using the methionine proximity assay.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Setting up and optimization of membrane protein simulations.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Modeling of loops in protein structures

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Comparative protein structure modeling of genes and genomes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Comparative protein modelling by satisfaction of spatial restraints

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

A novel potent vasoconstrictor peptide produced by vascular endothelial cells

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Induction of endothelin-1 gene by angiotensin and vasopressin in endothelial cells

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Amino acid substitution matrices from protein blocks

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

9 September 2017

Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

14 September 2017

Clinical experience with angiotensin II receptor antagonists.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

25 September 2017

Importance of accurate charges in molecular docking: quantum mechanical/molecular mechanical (QM/MM) approach

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

17 June 2018

The effect of an endothelin-receptor antagonist, bosentan, on blood pressure in patients with essential hypertension. Bosentan Hypertension Investigators

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

17 June 2018

Regulation of endothelin-1 mRNA by angiotensin II in rat heart endothelial cells

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

17 June 2018

Molecular dynamics simulation, free energy calculation and structure-based 3D-QSAR studies of B-RAF kinase inhibitors.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

21 August 2018

Molecular dynamics simulations of bovine rhodopsin: influence of protonation states and different membrane-mimicking environments

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

21 August 2018

Dual angiotensin II and endothelin A receptor antagonists: synthesis of 2'-substituted N-3-isoxazolyl biphenylsulfonamides with improved potency and pharmacokinetics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

21 August 2018

Novel dual action AT1 and ETA receptor antagonists reduce blood pressure in experimental hypertension

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

21 August 2018

Discovery of 4'-[(imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/angiotensin II receptor antagonists

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

21 August 2018

Validation of protein models derived from experiment

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4002566

21 August 2018

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

1 reference

https://api.crossref.org/works/10.1038%2FAPS.2013.129

21 January 2018

Temperature and size dependence for Monte Carlo simulations of TIP4P water

1 reference

https://api.crossref.org/works/10.1038%2FAPS.2013.129

21 January 2018

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

1 reference

https://api.crossref.org/works/10.1038%2FAPS.2013.129

21 January 2018

Computational alanine scanning mutagenesis--an improved methodological approach

1 reference

https://api.crossref.org/works/10.1038%2FAPS.2013.129

21 January 2018

Hydrostatic pressure induces hydrocarbon chain interdigitation in single-component phospholipid bilayers

1 reference

https://pubmed.ncbi.nlm.nih.gov/24304920

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Hemodynamic and biochemical effects of the AT1 receptor antagonist irbesartan in hypertension

1 reference

https://pubmed.ncbi.nlm.nih.gov/24304920

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Multiple templates-based homology modeling enhances structure quality of AT1 receptor: validation by molecular dynamics and antagonist docking

1 reference

https://pubmed.ncbi.nlm.nih.gov/24304920

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

MM-GB/SA rescoring of docking poses

1 reference

https://pubmed.ncbi.nlm.nih.gov/24304920

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

1 reference

https://api.crossref.org/works/10.1038%2FAPS.2013.129

7 January 2021

based on heuristic

inferred from DOI database lookup

Identifiers

10.1038/APS.2013.129

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24304920%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

ResearchGate publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q39015639&oldid=2202462310"