In today's medical research and development field, accurate and efficient data support has become the key to promoting innovation. Medical intermediates are some chemical raw materials or chemical products used in the process of drug synthesis, which can effectively promote the process research and development process of innovative drugs and generic drugs, and some key intermediates may become the key factors restricting the process development. Medical intermediate compound database as an auxiliary tool through the screening of many leading medicine intermediate compound and gather its core information, including the system target analysis, activity analysis and mechanism research, etc., to provide research basis for anti-tumor drugs, reduce the cost of development of tumor drugs, improve the survival rate of cancer patients. So far, the database includes 81 kinds of lead medicine intermediate compounds, including the targets of receptors, enzymes, ion channels, transporters, immune system and genes, as well as the analysis of AGS, HCT116, Hela, PANC-1, PA, MPA, A549, SMMC7721 and other cancer cells. To some extent, the database can promote the innovation and development of new drugs, help improve the efficiency of research and development, reduce the cost of procurement and testing, so as to achieve sustainable research.
With the rapid development of medicine, the variety of clinical drugs is increasing day by day. In the course of treating diseases, the number of adverse drug reactions (ADR) is also increasing year by year. In the various adverse reactions caused by drugs, gastrointestinal reactions occupy a considerable proportion, it is reported that in the monitoring of adverse reactions, gastrointestinal adverse reactions account for about 20% to 40%. The gastrointestinal tract (GI) is the body's largest digestive organ and the body's largest detoxification organ. Gastrointestinal adverse reactions caused by drugs can involve all parts of the digestive system, leading to digestive motor dysfunction, affecting the digestion and absorption of nutrients, and in severe cases, endangering the life of patients. The Gastrointestinal Toxic Drugs Database is a powerful tool for the study of gastrointestinal drug toxicity and related drug toxicology, containing 1023 compounds that can cause gastrointestinal adverse reactions, including non-steroidal anti-inflammatory drugs, anti-tumor drugs, antibiotics, drugs for the treatment of psychiatric disorders, etc. This database systematically collects the chemical structure, CAS number, pharmacological action type, clinical indications and possible adverse effects of various drugs, and describes the mechanism of gastrointestinal damage of drugs. To a certain extent, the database can provide relevant staff with data resources of gastrointestinal toxic drugs, understand and develop the relevant mechanisms of gastrointestinal adverse reactions, reduce the occurrence of gastrointestinal adverse reactions caused by drugs, and improve the quality of medical treatment.
Drug-induced liver injury (DILI) is a prevalent drug side effect that ranks second behind cardiotoxicity in drug target organ toxicity. This injury is often a key factor in forced interruptions of drug development programs or withdrawal of drugs from the market. To delve deeper into DILI and its associated pharmacotoxicology, researchers rely on the Hepatotoxic Drug Database, a powerful resource. The database contains 1,395 chemicals known to cause liver damage, covering a wide range of categories from antitumor drugs to antibiotics, antipsychotics to cardiovascular drugs. The database provides a detailed record of each drug's chemical structure, CAS registration number, type of pharmacological action, as well as their performance in clinical applications and potential adverse effects. In addition, it meticulously describes the mechanisms by which each drug induces hepatic injury, which usually involve complex pathological processes including, but not limited to, direct disruption of liver structure and function (e.g., mitochondrial dysfunction); production of metabolites that affect hepatocyte structure and function; formation of active drug metabolites that can bind to hepatic proteins, which in turn generates new drug-protein complexes that are antigenic, and these new complexes are recognized as foreign by the immune system in the host body (semi-antigenic hypothesis) and trigger a systemic hypersensitivity reaction to liver damage (i.e., drug allergy). By systematically organizing and continuously updating this information, the database will be of inestimable value in unraveling the pathogenesis of DILI, discovering biomarkers for predicting its developmental trends, and ultimately realizing effective prevention and management of DILI.