DrugMAP: molecular atlas and pharma-information of all drugs

The efficacy and safety of drugs are widely known to be determined by their interactions with multiple molecules of pharmacological importance, and it is therefore essential to systematically depict the molecular atlas and pharma-information of studied drugs. However, our understanding of such information is neither comprehensive nor precise, which necessitates the construction of a new database providing a network containing a large number of drugs and their interacting molecules. Here, a new database describing the molecular atlas and pharma-information of drugs (DrugMAP) was therefore constructed. It provides a comprehensive list of interacting molecules for >30 000 drugs/drug candidates, gives the differential expression patterns for >5000 interacting molecules among different disease sites, ADME (absorption, distribution, metabolism and excretion)-relevant organs and physiological tissues, and weaves a comprehensive and precise network containing >200 000 interactions among drugs and molecules. With the great efforts made to clarify the complex mechanism underlying drug pharmacokinetics and pharmacodynamics and rapidly emerging interests in artificial intelligence (AI)-based network analyses, DrugMAP is expected to become an indispensable supplement to existing databases to facilitate drug discovery. It is now fully and freely accessible at: https://idrblab.org/drugmap/

Automated summary

The efficacy and safety of drugs depend on their interactions with various pharmacologically important molecules. To better understand this information, a new database called DrugMAP has been developed, which provides a comprehensive list of interacting molecules for over 30,000 drugs/drug candidates. It also includes differential expression patterns for over 5,000 interacting molecules in different disease sites, ADME-relevant organs, and physiological tissues. With over 200,000 interactions among drugs and molecules, DrugMAP is expected to be a valuable resource for drug discovery and network analysis.