Ligand-Based Site of Metabolism Prediction for Cytochrome P450 2D6. (Q39736006)

14 September 2017

Ligand-Based Site of Metabolism Prediction for Cytochrome P450 2D6. (English)

1 reference

cytochrome P450 family 2 subfamily D member 6

14 September 2017

0 references

0 references

Patrik Rydberg

1

0 references

author name string

Lars Olsen

series ordinal

2

1 reference

14 September 2017

7 November 2011

1 reference

ACS Medicinal Chemistry Letters

14 September 2017

1 reference

14 September 2017

3

1 reference

14 September 2017

1

1 reference

14 September 2017

69-73

1 reference

SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

The SMARTCyp cytochrome P450 metabolism prediction server

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

Structural basis for ligand promiscuity in cytochrome P450 3A4.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

14 September 2017

has goal

uses method in cited work

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

14 September 2017

CiteULike CiTO annotations

Crystal structure of human cytochrome P450 2D6

2022

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

14 September 2017

has goal

uses method in cited work

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

14 September 2017

CiteULike CiTO annotations

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

2022

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N-alkylamphetamines: in silico predictions and experimental validation.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

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

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome P450 2D6.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4025842

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

20 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24900373

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Structure-based site of metabolism prediction for cytochrome P450 2D6

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24900373

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

PubMed

https://pubmed.ncbi.nlm.nih.gov/24900373

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/ML200246F

1 reference

14 September 2017

1 reference

14 September 2017

1 reference

PMCID

4025842