Biomedical entities and related information in DrugXplore.

Drug discovery is a complex field involving multiple entities and intricate interactions. Integrating diverse biological resources can yield unprecedented insights into drug development by unveiling drug details and biomolecule interactions. However, these datasets are typically decentralized, lacking interconnectivity, and have non-shareable data identifiers. Ontologies and knowledge graphs play a pivotal role in data integration and knowledge discovery. By representing entities such as drugs, proteins, genes, and diseases, along with their interactions as graph-like structures, we have developed the DrugXplore platform (https://medcode.link/drugxplore), offering valuable resources for drug discovery research. The platform provides comprehensive functionalities and serves as a one-stop source of drug information. DrugXplore includes a systematic ontology structure for interlinking different drug-related data types and relations. It facilitates the analysis of the impact of drugs on the expression profiles of various cell lines, enabling in-depth research on drugs’ mechanisms through information on drug-targeted proteins or genes affected by drugs. Studying diseases associated with these genes and relevant biological pathway information, or exploring other drugs targeting the same proteins, can provide a new perspective on understanding medications. For disease research, DrugXplore provides an example of COVID-19-induced acute kidney injury, allowing exploration of genes and drugs associated with different types of kidney injury. The platform also supports research into host genes interacting with products of SARS-CoV-2 viral genes and facilitates drug screening. Additionally, the platform proposes a cocktail-like strategy for drug screening, involving the selection of drugs that interfere with single or multiple biological processes.<br>