The ChemDB HIV, Opportunistic Infections and Tuberculosis Therapeutics Database maintained by the National Institute of Allergy and Infectious Diseases (NIAID) contains regularly updated information extracted from the scientific literature on the chemical structures and therapeutic activity of pre-clinical compounds. Currently, there are approximately 385,000 compounds in the database, with about 269,000 of those compounds publicly available on the ChemDB website (https://chemdb.niaid.nih.gov). Over 136,000 of the public compounds have associated anti-HIV testing data, and over 40,000 contain anti-Mycobacterium tuberculosis data. Additionally, a literature surveillance memo summarizing recent HIV and tuberculosis publications is posted on ChemDB monthly. The public portion of ChemDB is a unique resource of chemical and biological testing data for scientists around the world. Each compound in the database forms a record containing compound details, biological testing data, and literature citations. The database website enables researchers to search by chemical and structural details of a compound, as well as filtering for threshold biological activity values. These features have enabled researchers to use ChemDB for structure-activity relationship studies, identifying novel mechanisms of action, verifying structural and chemical information, identifying emerging therapeutic classes, and virtual screening. The database can also be used to examine research trends over time. For example, data describing the targets of anti-HIV studies (e.g. reverse transcriptase, protease, integrase) were collected from ChemDB sources and compared to the timing of FDA drug approvals, major scientific discoveries, and NIH therapeutics funding to identify trends in the field.

ChemDB: A database of structure and biological activity data for pre-clinical compounds tested against HIV, Mycobacterium tuberculosis, and opportunistic infections

254th National Meeting (2017)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.