Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space

Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

Standard

Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space. / Kanev, G. K.; Kooistra, A. J.; de Esch, I. J.P.; de Graaf, C.

The Future of Drug Discovery. Vol. 1-8 Elsevier Science Inc., 2017. p. 444-471.

Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

Harvard

Kanev, GK, Kooistra, AJ, de Esch, IJP & de Graaf, C 2017, Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space. in The Future of Drug Discovery. vol. 1-8, Elsevier Science Inc., pp. 444-471. https://doi.org/10.1016/B978-0-12-409547-2.12298-X

APA

Kanev, G. K., Kooistra, A. J., de Esch, I. J. P., & de Graaf, C. (2017). Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space. In The Future of Drug Discovery (Vol. 1-8, pp. 444-471). Elsevier Science Inc.. https://doi.org/10.1016/B978-0-12-409547-2.12298-X

Vancouver

Kanev GK, Kooistra AJ, de Esch IJP, de Graaf C. Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space. In The Future of Drug Discovery. Vol. 1-8. Elsevier Science Inc. 2017. p. 444-471 https://doi.org/10.1016/B978-0-12-409547-2.12298-X

Author

Kanev, G. K. ; Kooistra, A. J. ; de Esch, I. J.P. ; de Graaf, C. / Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space. The Future of Drug Discovery. Vol. 1-8 Elsevier Science Inc., 2017. pp. 444-471

Bibtex

@inbook{f21a132ed0d0498189cd533638f85c94,
title = "Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space",
abstract = "Structural chemogenomics databases allow the integration and exploration of heterogeneous genomic, structural, chemical, and pharmacological data in order to extract useful information that is applicable for the discovery of new protein targets and biologically active molecules. Integrated databases provide proteome-wide, target family-specific, or mechanism-specific information depending on the way that different types of protein-ligand interaction data can be explored. The use of common ontologies allows efficient protein and ligand data curation and mapping that enable the integration of bioactivity data mining, ligand and protein similarity assessment, and structural protein-ligand interaction analyses for the identification of new protein-drug combinations.",
keywords = "Cheminformatics, Data integration, Drug repurposing, Medicinal chemistry, Polypharmacology, Structural chemogenomics database, Target prediction",
author = "Kanev, {G. K.} and Kooistra, {A. J.} and {de Esch}, {I. J.P.} and {de Graaf}, C.",
year = "2017",
month = jun,
day = "3",
doi = "10.1016/B978-0-12-409547-2.12298-X",
language = "English",
isbn = "9780128032015",
volume = "1-8",
pages = "444--471",
booktitle = "The Future of Drug Discovery",
publisher = "Elsevier Science Inc.",
address = "United States",

}

RIS

TY - CHAP

T1 - Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space

AU - Kanev, G. K.

AU - Kooistra, A. J.

AU - de Esch, I. J.P.

AU - de Graaf, C.

PY - 2017/6/3

Y1 - 2017/6/3

N2 - Structural chemogenomics databases allow the integration and exploration of heterogeneous genomic, structural, chemical, and pharmacological data in order to extract useful information that is applicable for the discovery of new protein targets and biologically active molecules. Integrated databases provide proteome-wide, target family-specific, or mechanism-specific information depending on the way that different types of protein-ligand interaction data can be explored. The use of common ontologies allows efficient protein and ligand data curation and mapping that enable the integration of bioactivity data mining, ligand and protein similarity assessment, and structural protein-ligand interaction analyses for the identification of new protein-drug combinations.

AB - Structural chemogenomics databases allow the integration and exploration of heterogeneous genomic, structural, chemical, and pharmacological data in order to extract useful information that is applicable for the discovery of new protein targets and biologically active molecules. Integrated databases provide proteome-wide, target family-specific, or mechanism-specific information depending on the way that different types of protein-ligand interaction data can be explored. The use of common ontologies allows efficient protein and ligand data curation and mapping that enable the integration of bioactivity data mining, ligand and protein similarity assessment, and structural protein-ligand interaction analyses for the identification of new protein-drug combinations.

KW - Cheminformatics

KW - Data integration

KW - Drug repurposing

KW - Medicinal chemistry

KW - Polypharmacology

KW - Structural chemogenomics database

KW - Target prediction

UR - http://www.scopus.com/inward/record.url?scp=85040642203&partnerID=8YFLogxK

U2 - 10.1016/B978-0-12-409547-2.12298-X

DO - 10.1016/B978-0-12-409547-2.12298-X

M3 - Book chapter

AN - SCOPUS:85040642203

SN - 9780128032015

VL - 1-8

SP - 444

EP - 471

BT - The Future of Drug Discovery

PB - Elsevier Science Inc.

ER -

ID: 199351875