In silico drug evaluation utilizing FDA consumer drug information files

CHED 1346

Malcolm J. D'Souza, dsouzama@wesley.edu and Fumie Koyoshi, moomin_fuumin1227@hotmail.com. Department of Chemistry, Wesley College, 120 N State Street, Dover, DE 19901
Each FDA consumer drug information file contains useful chemical and pharmacological data. These files profile drugs by chemical structure, solubility, absorption, distribution, metabolism, elimination, toxicity (carcinogenesis, mutagenesis, teratogenicity) and, possible adverse reactions. The ability to utilize this data in the classroom is a new approach to connect theory, technology, and reality. KnowItAll® is a computational platform that holds the largest collection of in silico ADME/Tox (Absorption, Distribution, Metabolism, Elimination and Toxicity) predictors, and is a chemical informatics platform. It offers an ideal environment for a researcher to study a compound's drug potential. [This project was supported by NIH NCRR INBRE grant number; 2 P20 RR016472-06]
 

Undergraduate Research Poster Session: Medicinal
2:00 PM-4:00 PM, Monday, March 26, 2007 Hyatt Regency Chicago -- Riverside Center, Poster

Division of Chemical Education

The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007