DrugMAP: molecular atlas and pharma-information of all drugs

Author:

Li Fengcheng12,Yin Jiayi1,Lu Mingkun1,Mou Minjie1ORCID,Li Zhaorong2,Zeng Zhenyu2,Tan Ying3,Wang Shanshan4,Chu Xinyi4,Dai Haibin1,Hou Tingjun1,Zeng Su1,Chen Yuzong34ORCID,Zhu Feng12ORCID

Affiliation:

1. College of Pharmaceutical Sciences, The Second Affiliated Hospital, Zhejiang University School of Medicine, Zhejiang University , Hangzhou  310058,  China

2. Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, Alibaba–Zhejiang University Joint Research Center of Future Digital Healthcare , Hangzhou  330110,  China

3. State Key Laboratory of Chemical Oncogenomics, Key Laboratory of Chemical Biology, Tsinghua Shenzhen International Graduate School, Tsinghua University , Shenzhen  518055,  China

4. Qian Xuesen Collaborative Research Center of Astrochemistry and Space Life Sciences, Institute of Drug Discovery Technology, Ningbo University , Ningbo  315211,  China

Abstract

Abstract 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/

Funder

Natural Science Foundation of Zhejiang Province

National Natural Science Foundation of China

Leading Talent of the ‘Ten Thousand Plan’—National High-Level Talents Special Support Plan of China

Fundamental Research Fund of Central University

Key R&D Program of Zhejiang Province

National Key R&D Program of China Synthetic Biology Research

‘Double Top-Class’ University

Space Exploration Breeding Grant of Qian Xuesen Lab

Scientific Research Grant of Ningbo University

Ningbo Top Talent Proj

Shenzhen Municipal Government grant

Department of Science and Technology of Guangdong Province

Westlake Laboratory

Alibaba–Zhejiang University Joint Research Center of Future Digital Healthcare

Alibaba Cloud

Information Technology Center of Zhejiang University

Publisher

Oxford University Press (OUP)

Subject

Genetics

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