Abstract
The drug-minded protein interaction database (DrumPID) has been designed to provide fast, tailored information on drugs and their protein networks including indications, protein targets and side-targets. Starting queries include compound, target and protein interactions and organism-specific protein families. Furthermore, drug name, chemical structures and their SMILES notation, affected proteins (potential drug targets), organisms as well as diseases can be queried including various combinations and refinement of searches. Drugs and protein interactions are analyzed in detail with reference to protein structures and catalytic domains, related compound structures as well as potential targets in other organisms. DrumPID considers drug functionality, compound similarity, target structure, interactome analysis and organismic range for a compound, useful for drug development, predicting drug side-effects and structure–activity relationships.Database URL: http://drumpid.bioapps.biozentrum.uni-wuerzburg.de
Highlights
New analysis technologies have contributed to huge volumes of molecular data
Drugs and protein interactions are analyzed in detail with reference to protein structures and catalytic domains, related compound structures as well as potential targets in other organisms
The data extraction began by downloading sdf- and SMILES-files of all FDA-approved drugs
Summary
New analysis technologies have contributed to huge volumes of molecular data. Numerous databases have been developed to explore these (1–5) with complementary focus on protein interactions, side effects, or drug information.The drug-minded protein interaction database (DrumPID) has been designed for researchers to quickly obtain custom, tailored information on drugs and protein interactions with the idea to rapidly understand and screen related compounds for their effects in protein interactionVC The Author(s) 2016. New analysis technologies have contributed to huge volumes of molecular data. Numerous databases have been developed to explore these (1–5) with complementary focus on protein interactions, side effects, or drug information. The drug-minded protein interaction database (DrumPID) has been designed for researchers to quickly obtain custom, tailored information on drugs and protein interactions with the idea to rapidly understand and screen related compounds for their effects in protein interaction. Vol 2016, Article ID baw[041 ] Opportunity Description. Associated pathogen Drug name SMILES Affected protein
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