(Q41980932)

14 October 2017

Empirical regioselectivity models for human cytochromes P450 3A4, 2D6, and 2C9. (English)

1 reference

14 October 2017

Robert P Sheridan

1

1 reference

14 October 2017

Kenneth R Korzekwa

series ordinal

2

1 reference

14 October 2017

Rhonda A Torres

series ordinal

3

1 reference

14 October 2017

Matthew J Walker

series ordinal

4

1 reference

14 October 2017

language of work or name

English

0 references

publication date

19 June 2007

1 reference

Journal of Medicinal Chemistry

14 October 2017

1 reference

14 October 2017

50

1 reference

14 October 2017

14

1 reference

14 October 2017

3173-3184

1 reference

Structural basis for ligand promiscuity in cytochrome P450 3A4.

14 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

In vivo metabolite detection and identification in drug discovery via LC-MS/MS with data-dependent scanning and postacquisition data mining

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Substrate SARs in human P450s

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome p450 active sites

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

The human CYP3A subfamily: practical considerations

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Use of in vitro and in vivo data to estimate the likelihood of metabolic pharmacokinetic interactions

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Predicting the regioselectivity and stereoselectivity of cytochrome P450-mediated reactions: structural models for bioactivation reactions.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Flexibases: a way to enhance the use of molecular docking methods

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Mechanistic studies on the metabolic scission of thiazolidinedione derivatives to acyclic thiols

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-A resolution

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

Random forest: a classification and regression tool for compound classification and QSAR modeling

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4634633

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

18 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17579382

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17579382

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17579382

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JM0613471

1 reference

14 October 2017

1 reference

14 October 2017

PubMed publication ID

17579382

1 reference