Abstract
Due to the low probabilities of compounds becoming medicines, high throughput drug screening is applied in a basic biomedical research center to fast screen mass compounds to reduce research time and cost.Since there were numerous studies on and investigations into many compounds and proteins, it will save a lot of drug researchers' time and cost if the information could be well utilized. Thus, establishing a thorough database is vitally essential. Comprehensive Compound Bank (CCB) is a special biological and chemical information database that details reactions and combinations of ligands on protein in a body. With similarity comparisons of compound bases in PubChem, the database looks for similar chemical structures and combines them with other collected data. Information in CCB includes 1,000 KEGG data, 1,000 Drug Bank data and 10,000 BindingDB data.Mainly based on compounds, CCB links information otherwise collected, including basic introduction of compounds, experiment data of compounds on proteins, chemical reactions of compounds undergoing in a biological organism. Many data are also linked to various major databases such as PubChem, KEGG, BindingDB, DrugBank, and UniProKB.CCB is applied to research on drug targets, drug design, drug docking, drug screening and on predictions of drug metabolism and interaction. Another function of CCB is to transform commonly-seen chemical structures into infrequently-used chemical formats – a convenient, novel, unique function for drug researchers with special requests.Methods to input chemical structures into CCB, through graphic interfaces, include file transformation and search function, providing diverse options of greater convenience for drug researchers.