Predicting undesirable drug interactions with promiscuous proteins in silico (Q35683437)

9 August 2017

1 reference

title

Predicting undesirable drug interactions with promiscuous proteins in silico (English)

1 reference

9 August 2017

1

1 reference

9 August 2017

1 March 2004

1 reference

9 August 2017

1 reference

9 August 2017

9

1 reference

9 August 2017

6

1 reference

9 August 2017

276-285

1 reference

Interactions of herbs with cytochrome P450.

9 August 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Progress toward virtual screening for drug side effects.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

QT interval prolongation by non-cardiovascular drugs: issues and solutions for novel drug development

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

A structural basis for drug-induced long QT syndrome

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

A virtual screening method for prediction of the HERG potassium channel liability of compound libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

In silico approaches to predicting drug metabolism, toxicology and beyond.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

3-(4-Fluoropiperidin-3-yl)-2-phenylindoles as high affinity, selective, and orally bioavailable h5-HT(2A) receptor antagonists

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

An ERG channel inhibitor from the scorpion Buthus eupeus

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Solution structure of CnErg1 (Ergtoxin), a HERG specific scorpion toxin

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

APETx1, a new toxin from the sea anemone Anthopleura elegantissima, blocks voltage-gated human ether-a-go-go-related gene potassium channels.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

New binding site on common molecular scaffold provides HERG channel specificity of scorpion toxin BeKm-1

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Novel interactions between K+ channels and scorpion toxins

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Turret and pore block of K+ channels: what is the difference?

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Preferential closed channel blockade of HERG potassium currents by chemically synthesised BeKm-1 scorpion toxin

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

P450 superfamily: update on new sequences, gene mapping, accession numbers and nomenclature.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Structural characteristics of human P450s involved in drug metabolism: QSARs and lipophilicity profiles

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Comparative modelling of cytochromes P450.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Pharmacophore modeling of cytochromes P450.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Novel approach to predicting P450-mediated drug metabolism: development of a combined protein and pharmacophore model for CYP2D6

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and pharmacophore model for CYP2D6

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

A refined 3-dimensional QSAR of cytochrome P450 2C9: computational predictions of drug interactions

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Three-Dimensional Quantitative Structure Activity Relationship for Cyp2d6 Substrates

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Competitive CYP2C9 inhibitors: enzyme inhibition studies, protein homology modeling, and three-dimensional quantitative structure-activity relationship analysis

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Combined three-dimensional quantitative structure-activity relationship analysis of cytochrome P450 2B6 substrates and protein homology modeling

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Development of a combined protein and pharmacophore model for cytochrome P450 2C9.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

The human CYP3A subfamily: practical considerations

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Generation and validation of rapid computational filters for cyp2d6 and cyp3a4.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Development of a generalized, quantitative physicochemical model of CYP3A4 inhibition for use in early drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

In vitro and pharmacophore insights into CYP3A enzymes

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Evaluation of atypical cytochrome P450 kinetics with two-substrate models: evidence that multiple substrates can simultaneously bind to cytochrome P450 active sites

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

CYP3A4 drug interactions: correlation of 10 in vitro probe substrates

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Phenylalanine and tryptophan scanning mutagenesis of CYP3A4 substrate recognition site residues and effect on substrate oxidation and cooperativity

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Elucidation of distinct ligand binding sites for cytochrome P450 3A4

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Computational models for cytochrome P450: a predictive electronic model for aromatic oxidation and hydrogen atom abstraction

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Predicting the rates and regioselectivity of reactions mediated by the P450 superfamily

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

A model for predicting likely sites of CYP3A4-mediated metabolism on drug-like molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Crystal structure of human cytochrome P450 2C9 with bound warfarin

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Modeling of active transport systems

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Progress in understanding the structure-activity relationships of P-glycoprotein

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Pharmacophore model of drugs involved in P-glycoprotein multidrug resistance: explanation of structural variety (hypothesis).

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Characterization of two pharmacophores on the multidrug transporter P-glycoprotein

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Application of three-dimensional quantitative structure-activity relationships of P-glycoprotein inhibitors and substrates

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Coactivator binding promotes the specific interaction between ligand and the pregnane X receptor

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Prediction of human drug metabolizing enzyme induction

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

2.1 A crystal structure of human PXR in complex with the St. John's wort compound hyperforin

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

A pharmacophore for human pregnane X receptor ligands

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Developing a dynamic pharmacophore model for HIV-1 integrase.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Human UDP-glucuronosyltransferases: metabolism, expression, and disease

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Enzymatic aspects of the phenol (aryl) sulfotransferases

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

X-ray crystal structure of human dopamine sulfotransferase, SULT1A3. Molecular modeling and quantitative structure-activity relationship analysis demonstrate a molecular basis for sulfotransferase substrate specificity

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Structure of a human carcinogen-converting enzyme, SULT1A1. Structural and kinetic implications of substrate inhibition

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

The UDP glycosyltransferase gene superfamily: recommended nomenclature update based on evolutionary divergence

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Quantitative structure activity relationships for the glucuronidation of simple phenols by expressed human UGT1A6 and UGT1A9.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Structure-activity relationship in O-glucuronidation of indolocarbazole analogs

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Pharmacophore and quantitative structure-activity relationship modeling: complementary approaches for the rationalization and prediction of UDP-glucuronosyltransferase 1A4 substrate selectivity.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

Pharmacophore and quantitative structure activity relationship modelling of UDP-glucuronosyltransferase 1A1 (UGT1A1) substrates

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2803%2903008-3

7 January 2021

10.1016/S1359-6446(03)03008-3

Identifiers

DOI

1 reference

9 August 2017

1 reference

PubMed ID

15003246