DrugMAP: molecular atlas and pharma-information of all drugs
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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/.
众所周知，药物的疗效与安全性取决于其与多种药理学重要分子之间的相互作用，因此系统刻画研究药物的分子图谱与药物学信息至关重要。然而，目前学界对这类信息的认知既不全面也不精准，故而亟需构建一个涵盖大量药物及其相互作用分子的相互作用网络的新型数据库。据此，本研究构建了一款用于描述药物分子图谱与药物学信息的新型数据库——DrugMAP。该数据库为超过30000种药物/候选药物提供了全面的相互作用分子列表，同时给出了超过5000种相互作用分子在不同疾病部位、ADME（吸收、分布、代谢与排泄）相关器官及生理组织中的差异表达模式，并构建了一个包含超过200000种药物与分子间相互作用的全面精准的相互作用网络。随着学界在阐明药物药代动力学与药效动力学背后复杂机制方面付出的大量努力，以及基于人工智能（AI）的网络分析研究兴趣的快速兴起，DrugMAP有望成为现有数据库不可或缺的补充工具，以助力药物研发。该数据库目前已完全免费开放访问，网址为：https://idrblab.org/drugmap/
