(Q30357121)

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A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonist.

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scholarly article

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Europe PubMed Central

PubMed publication ID

20 June 2017

A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonist. (English)

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

G protein-coupled receptor

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author name string

Nidhi Singh

1

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

Gwénaël Chevé

2

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

David M Ferguson

3

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

Christopher R McCurdy

4

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

publication date

1 July 2006

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

20

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

7-8

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

471-493

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

https://scigraph.springernature.com/pub.10.1007/s10822-006-9067-x

0 references

Virtual screening and fast automated docking methods.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-006-9067-X

21 January 2018

Modelling G-protein-coupled receptors for drug design

1 reference

https://api.crossref.org/works/10.1007%2FS10822-006-9067-X

21 January 2018

Acute Physiologic and Chronic Histologic Changes in Rats and Mice Exposed to the Unique Hallucinogen Salvinorin A

1 reference

https://api.crossref.org/works/10.1007%2FS10822-006-9067-X

21 January 2018

Salvia divinorum and the unique diterpene hallucinogen, Salvinorin (divinorin) A.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-006-9067-X

21 January 2018

Target validation of G-protein coupled receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Functional Microdomains in G-protein-coupled Receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Primary structures and expression from cDNAs of rat opioid receptor delta- and mu-subtypes.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparison of pharmacological activities of three distinct kappa ligands (Salvinorin A, TRK-820 and 3FLB) on kappa opioid receptors in vitro and their antipruritic and antinociceptive activities in vivo

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Role of the conserved NPxxY(x)5,6F motif in the rhodopsin ground state and during activation

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis and in vitro pharmacological studies of new C(2) modified salvinorin A analogues

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Amino acid substitution matrices from protein blocks

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based virtual screening: an overview

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

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Constitutively active mutants of the alpha 1B-adrenergic receptor: role of highly conserved polar amino acids in receptor activation

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

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Agonist-induced conformational changes in the G-protein-coupling domain of the beta 2 adrenergic receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

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2- and 8-alkynyladenosines: conformational studies and docking to human adenosine A3 receptor can explain their different biological behavior

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

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Related contribution of specific helix 2 and 7 residues to conformational activation of the serotonin 5-HT2A receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

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Cloning and pharmacological characterization of a rat kappa opioid receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

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Identification of endogenous surrogate ligands for human P2Y receptors through an in silico search.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

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Nociceptin/orphanin FQ and the opioid receptor-like ORL1 receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ligand-supported Homology Modelling of Protein Binding-sites using Knowledge-based Potentials

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative protein structure modeling of genes and genomes

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Salvia divinorum and salvinorin A: new pharmacologic findings

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of a human delta opioid receptor: cloning and expression

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Recent advances in molecular recognition and signal transduction of active peptides: receptors for opioid peptides

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative protein modelling by satisfaction of spatial restraints

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

X-ray structure of bacteriorhodopsin at 2.5 angstroms from microcrystals grown in lipidic cubic phases

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Advances in Determination of a High-Resolution Three-Dimensional Structure of Rhodopsin, a Model of G-Protein-Coupled Receptors (GPCRs)

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Development and validation of a genetic algorithm for flexible docking

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

G protein-coupled receptor drug discovery: implications from the crystal structure of rhodopsin.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A unique binding epitope for salvinorin A, a non-nitrogenous kappa opioid receptor agonist

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Opioid receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Studies toward the pharmacophore of salvinorin A, a potent kappa opioid receptor agonist

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The Protein Data Bank

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Rhodopsin structure, dynamics, and activation: a perspective from crystallography, site-directed spin labeling, sulfhydryl reactivity, and disulfide cross-linking

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-throughput and virtual screening: core lead discovery technologies move towards integration

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Principles of docking: An overview of search algorithms and a guide to scoring functions

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Rhodopsin crystal: new template yielding realistic models of G-protein-coupled receptors?

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Dissecting G-protein-coupled receptors: structure, function, and ligand interaction

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

G protein-coupled receptors: in silico drug discovery in 3D.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular modeling study of the editing active site of Escherichia coli leucyl-tRNA synthetase: two amino acid binding sites in the editing domain

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Protein-based virtual screening of chemical databases. II. Are homology models of G-Protein Coupled Receptors suitable targets?

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Changes in interhelical hydrogen bonding upon rhodopsin activation

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Statistical potentials and scoring functions applied to protein-ligand binding

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of an agonist-induced conformational change occurring adjacent to the ligand-binding pocket of the M(3) muscarinic acetylcholine receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structure of rhodopsin: A G protein-coupled receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Lead generation using pharmacophore mapping and three-dimensional database searching: application to muscarinic M(3) receptor antagonists

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis and in vitro pharmacological evaluation of salvinorin A analogues modified at C(2).

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based drug discovery using GPCR homology modeling: successful virtual screening for antagonists of the alpha1A adrenergic receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ligand identification for G-protein-coupled receptors: a lead generation perspective

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Antinociceptive profile of salvinorin A, a structurally unique kappa opioid receptor agonist

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cloning and functional comparison of kappa and delta opioid receptors from mouse brain

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Homology modeling of opioid receptor-ligand complexes using experimental constraints

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular cloning of a rat kappa opioid receptor reveals sequence similarities to the mu and delta opioid receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A reciprocal mutation supports helix 2 and helix 7 proximity in the gonadotropin-releasing hormone receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Integrating virtual screening in lead discovery

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of G protein-coupled receptor genes from the human genome sequence

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Uncovering molecular mechanisms involved in activation of G protein-coupled receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The SWISS-PROT protein knowledgebase and its supplement TrEMBL in 2003

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Heavier-than-air flying machines are impossible.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Human mu opiate receptor. cDNA and genomic clones, pharmacologic characterization and chromosomal assignment

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Salvinorin A: a potent naturally occurring nonnitrogenous kappa opioid selective agonist

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Requirement of rigid-body motion of transmembrane helices for light activation of rhodopsin

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Chemical structures and biological activities of non-peptide selective kappa opioid ligands

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Selected concepts and investigations in compound classification, molecular descriptor analysis, and virtual screening

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The retinal conformation and its environment in rhodopsin in light of a new 2.2 A crystal structure

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ethnopharmacology of ska María Pastora (Salvia divinorum, Epling and Játiva-M.)

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Protein, lipid and water organization in bacteriorhodopsin crystals: a molecular view of the purple membrane at 1.9 A resolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Kappa opioid antagonists: past successes and future prospects

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based drug design: computational advances.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-throughput docking for lead generation

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-activity relationships of G protein-coupled receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Salvinorin A, an active component of the hallucinogenic sage salvia divinorum is a highly efficacious kappa-opioid receptor agonist: structural and functional considerations

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Scoring functions: a view from the bench

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural origins of constitutive activation in rhodopsin: Role of the K296/E113 salt bridge

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Finishing the euchromatic sequence of the human genome

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Isolation of a human kappa opioid receptor cDNA from placenta

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular recognition and docking algorithms

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Salvinorin A: a novel and highly selective kappa-opioid receptor agonist

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular cloning and functional expression of a mu-opioid receptor from rat brain.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Drug discovery: a historical perspective

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The conformational switch in 7-transmembrane receptors: the muscarinic receptor paradigm.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of the molecular mechanisms by which the diterpenoid salvinorin A binds to kappa-opioid receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cloning of a delta opioid receptor by functional expression

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The delta-opioid receptor: isolation of a cDNA by expression cloning and pharmacological characterization

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Differential interaction of spin-labeled arrestin with inactive and active phosphorhodopsin

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A review of protein-small molecule docking methods

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Evaluation of the CASP2 docking section

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis and in vitro pharmacological studies of C(4) modified salvinorin A analogues

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Principles of docking: An overview of search algorithms and a guide to scoring functions

1 reference

https://pubmed.ncbi.nlm.nih.gov/17009091

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S10822-006-9067-X

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

DBLP publication ID

journals/jcamd/SinghCFM06

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

20 June 2017

ResearchGate publication ID

0 references

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