TY - JOUR

T1 - ChemProt

T2 - a disease chemical biology database

AU - Taboureau, Olivier

AU - Nielsen, Sonny Kim

AU - Audouze, Karine Marie Laure

AU - Weinhold, Nils

AU - Edsgärd, Daniel

AU - Roque, Francisco S

AU - Kouskoumvekaki, Irene

AU - Bora, Alina

AU - Curpan, Ramona

AU - Jensen, Thomas Skøt

AU - Brunak, Søren

AU - Oprea, Tudor

PY - 2011

Y1 - 2011

N2 - Systems pharmacology is an emergent area that studies drug action across multiple scales of complexity, from molecular and cellular to tissue and organism levels. There is a critical need to develop network-based approaches to integrate the growing body of chemical biology knowledge with network biology. Here, we report ChemProt, a disease chemical biology database, which is based on a compilation of multiple chemical-protein annotation resources, as well as disease-associated protein-protein interactions (PPIs). We assembled more than 700,000 unique chemicals with biological annotation for 30,578 proteins. We gathered over 2-million chemical-protein interactions, which were integrated in a quality scored human PPI network of 428,429 interactions. The PPI network layer allows for studying disease and tissue specificity through each protein complex. ChemProt can assist in the in silico evaluation of environmental chemicals, natural products and approved drugs, as well as the selection of new compounds based on their activity profile against most known biological targets, including those related to adverse drug events. Results from the disease chemical biology database associate citalopram, an antidepressant, with osteogenesis imperfect and leukemia and bisphenol A, an endocrine disruptor, with certain types of cancer, respectively. The server can be accessed at https://www.cbs.dtu.dk/services/ChemProt/.

AB - Systems pharmacology is an emergent area that studies drug action across multiple scales of complexity, from molecular and cellular to tissue and organism levels. There is a critical need to develop network-based approaches to integrate the growing body of chemical biology knowledge with network biology. Here, we report ChemProt, a disease chemical biology database, which is based on a compilation of multiple chemical-protein annotation resources, as well as disease-associated protein-protein interactions (PPIs). We assembled more than 700,000 unique chemicals with biological annotation for 30,578 proteins. We gathered over 2-million chemical-protein interactions, which were integrated in a quality scored human PPI network of 428,429 interactions. The PPI network layer allows for studying disease and tissue specificity through each protein complex. ChemProt can assist in the in silico evaluation of environmental chemicals, natural products and approved drugs, as well as the selection of new compounds based on their activity profile against most known biological targets, including those related to adverse drug events. Results from the disease chemical biology database associate citalopram, an antidepressant, with osteogenesis imperfect and leukemia and bisphenol A, an endocrine disruptor, with certain types of cancer, respectively. The server can be accessed at https://www.cbs.dtu.dk/services/ChemProt/.

KW - Databases, Factual

KW - Disease

KW - Drug Discovery

KW - Genes

KW - Humans

KW - Pharmaceutical Preparations

KW - Protein Interaction Mapping

KW - Proteins

U2 - 10.1093/nar/gkq906

DO - 10.1093/nar/gkq906

M3 - Journal article

C2 - 20935044

VL - 39

SP - D367-72

JO - Nucleic Acids Research

JF - Nucleic Acids Research

SN - 0305-1048

IS - Database issue

ER -