(Q34408300)

25148595

2 August 2017

title

Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification (English)

1 reference

2 August 2017

0 references

1 reference

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

author name string

Willma E Polgar

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

Nurulain T Zaveri

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

language of work or name

1 reference

17 September 2014

1 reference

25148595

Journal of Chemical Information and Modeling

2 August 2017

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

volume

54

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

issue

10

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

page(s)

2732-2743

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening

5 June 2020

cites work

1 reference

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Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic

6 July 2018

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ZINC: a free tool to discover chemistry for biology

6 July 2018

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Homology modeling and molecular dynamics simulations of the active state of the nociceptin receptor reveal new insights into agonist binding and activation

6 July 2018

1 reference

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Structure-based virtual screening for drug discovery: a problem-centric review

6 July 2018

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Ligand and decoy sets for docking to G protein-coupled receptors

6 July 2018

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Predictive power of molecular dynamics receptor structures in virtual screening

6 July 2018

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Recently patented and promising ORL-1 ligands: where have we been and where are we going?

6 July 2018

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Development of nociceptin receptor (NOP) agonists and antagonists

6 July 2018

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The role of dynamic conformational ensembles in biomolecular recognition

6 July 2018

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Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modes

6 July 2018

1 reference

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Target flexibility: an emerging consideration in drug discovery and design

6 July 2018

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Synthesis and pharmacological evaluation of 1,2-dihydrospiro[isoquinoline-4(3H),4'-piperidin]-3-ones as nociceptin receptor agonists

6 July 2018

1 reference

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Benchmarking sets for molecular docking

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Application of a Theory of Enzyme Specificity to Protein Synthesis

6 July 2018

1 reference

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Medicinal chemical properties of successful central nervous system drugs

6 July 2018

1 reference

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Small-molecule agonists and antagonists of the opioid receptor-like receptor (ORL1, NOP): ligand-based analysis of structural factors influencing intrinsic activity at NOP

6 July 2018

1 reference

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A novel series of piperidin-4-yl-1,3-dihydroindol-2-ones as agonist and antagonist ligands at the nociceptin receptor

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

The second extracellular loop of the dopamine D2 receptor lines the binding-site crevice

6 July 2018

1 reference

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Peptide and nonpeptide ligands for the nociceptin/orphanin FQ receptor ORL1: research tools and potential therapeutic agents

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Characterization of opiates, neuroleptics, and synthetic analogs at ORL1 and opioid receptors

6 July 2018

1 reference

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ORL1 receptor ligands: structure-activity relationships of 8-cycloalkyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-ones

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

High-affinity, non-peptide agonists for the ORL1 (orphanin FQ/nociceptin) receptor

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Functional inactivation of the nociceptin receptor by alanine substitution of glutamine 286 at the C terminus of transmembrane segment VI: evidence from a site-directed mutagenesis study of the ORL1 receptor transmembrane-binding domain

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Different domains of the ORL1 and kappa-opioid receptors are involved in recognition of nociceptin and dynorphin A.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Moving from the orphanin FQ receptor to an opioid receptor using four point mutations

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

ORL1, a novel member of the opioid receptor family. Cloning, functional expression and localization

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Molecular cloning and tissue distribution of a putative member of the rat opioid receptor gene family that is not a mu, delta or kappa opioid receptor type

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Molecular cloning, tissue distribution and chromosomal localization of a novel member of the opioid receptor gene family

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Application of Monte Carlo-based receptor ensemble docking to virtual screening for GPCR ligands.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

GPCR structure and activation: an essential role for the first extracellular loop in activating the adenosine A2B receptor

27 October 2018

1 reference

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The discovery of tropane derivatives as nociceptin receptor ligands for the management of cough and anxiety

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Synthesis and structure-activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands: part 2.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Structure-activity relationships and CoMFA of N-3 substituted phenoxypropyl piperidine benzimidazol-2-one analogues as NOP receptor agonists with analgesic properties

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 1.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Representing receptor flexibility in ligand docking through relevant normal modes.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Synthesis of (1S,3aS)-8-(2,3,3a,4,5, 6-hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4. 5]decan-4-one, a potent and selective orphanin FQ (OFQ) receptor agonist with anxiolytic-like properties

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Distinct mechanisms for activation of the opioid receptor-like 1 and kappa-opioid receptors by nociceptin and dynorphin A.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Creating a functional opioid alkaloid binding site in the orphanin FQ receptor through site-directed mutagenesis.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4210177

Synthesis and evaluation of N-3 substituted phenoxypropyl piperidine benzimidazol-2-one analogues as NOP receptor agonists with analgesic and sedative properties

27 October 2018

1 reference

12 December 2020

3-(4-Piperidinyl)indoles and 3-(4-piperidinyl)pyrrolo-[2,3-b]pyridines as ligands for the ORL-1 receptor

1 reference

12 December 2020

Synthesis and structure-activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands

1 reference

12 December 2020

Use of an induced fit receptor structure in virtual screening

1 reference

12 December 2020

Identifiers

DOI

10.1021/CI500291A

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

DBLP publication ID

journals/jcisd/DagaPZ14

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

25148595

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25148595%20AND%20SRC:MED&resulttype=core&format=json