MagMD: Database summarizing the metabolic action of gut microbiota to drugs

Jiajia Zhou; Jian Ouyang; Zihao Gao; Haipeng Qin; Wu Jun; Tieliu Shi

doi:10.1016/j.csbj.2022.11.021

MagMD: Database summarizing the metabolic action of gut microbiota to drugs

Comput Struct Biotechnol J. 2022 Nov 12:20:6427-6430. doi: 10.1016/j.csbj.2022.11.021. eCollection 2022.

Authors

Jiajia Zhou¹, Jian Ouyang¹, Zihao Gao¹, Haipeng Qin¹, Wu Jun¹, Tieliu Shi^{1

2

3}

Affiliations

¹ Center for Bioinformatics and Computational Biology, and the Institute of Biomedical Sciences, School of Life Sciences, East China Normal University, Shanghai 200241, China.
² School of Statistics, Key Laboratory of Advanced Theory and Application in Statistics and Data Science-MOE, East China Normal University, Shanghai 200062, China.
³ Beijing Advanced Innovation Center for Big Data-Based Precision Medicine, Beihang University & Capital Medical University, Beijing 100083, China.

Abstract

An increasing number of studies have reported that microbiome can affect drug response by altering pharmacokinetics and pharmacodynamics of formation of toxic metabolites. With the development of metagenomic sequencing, gut microbial composition as well as the metabolic function are drawing more and more attention for the patient stratification. The established microbiota databases provide useful information about the gut microbe-drug interactions. However, these databases generally lacked the detailed effects on substance and the metabolites, which are helpful in elucidating the mechanisms underlying drug biotransformation and personalized medicine. To address these issues, in this study, we developed Metabolic action of gut Microbiota to Drugs (MagMD), a database and a web-service covering 32, 678 records of interactions between 2,146 gut microbes, 36 enzymes and 219 substrates (mainly drugs). The detailed annotations for each entry, including the taxonomic level of microbes, the molecular form and PubChem ID of drugs from PubChem Compound Database, types of microbial secreted enzymes and the original reference links can also be accessed from the web service.

Availability and implementation: MagMD is a publicly available resource, constantly updated. It has an intuitive web interface and can be freely accessed at http://www.unimd.org/magmd.