1.15 - 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.
Original languageEnglish
Title of host publication1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space
PublisherElsvier
Pages444-471
Volume1
EditionComprehensive Medicinal Chemistry III
ISBN (Print)978-0-12-803201-5
StatePublished - 2017

Cite this

Kanev, G. K., Kooistra, A. J., de Esch, I. J. P., & de Graaf, C. (2017). 1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space. In 1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space (Comprehensive Medicinal Chemistry III ed., Vol. 1, pp. 444-471). Elsvier.

Kanev, G.K.; Kooistra, A.J.; de Esch, I.J.P.; de Graaf, C. / 1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space.

1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space. Vol. 1 Comprehensive Medicinal Chemistry III. ed. Elsvier, 2017. p. 444-471.

Research output: Scientific - peer-reviewChapter

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Kanev, GK, Kooistra, AJ, de Esch, IJP & de Graaf, C 2017, 1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space. in 1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space. Comprehensive Medicinal Chemistry III edn, vol. 1, Elsvier, pp. 444-471.

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

1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space. Vol. 1 Comprehensive Medicinal Chemistry III. ed. Elsvier, 2017. p. 444-471.

Research output: Scientific - peer-reviewChapter

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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.

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Kanev GK, Kooistra AJ, de Esch IJP, de Graaf C. 1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space. In 1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space. Comprehensive Medicinal Chemistry III ed. Vol. 1. Elsvier. 2017. p. 444-471.