DIA-DB: A Database and Web Server for the Prediction of Diabetes Drugs

The DIA-DB is a web
server for the prediction of diabetes drugs
that uses two different and complementary approaches: (a) comparison
by shape similarity against a curated database of approved antidiabetic
drugs and experimental small molecules and (b) inverse virtual screening
of the input molecules chosen by the users against a set of therapeutic
protein targets identified as key elements in diabetes. As a proof
of concept DIA-DB was successfully applied in an integral workflow
for the identification of the antidiabetic chemical profile in a complex
crude plant extract. To this end, we conducted the extraction and
LC-MS based chemical profile analysis of Sclerocarya
birrea and subsequently utilized this data as input
for our server. The server is open to all users, registration is not
necessary, and a detailed report with the results of the prediction
is sent to the user by email once calculations are completed. This
is a novel public domain database and web server specific for diabetes
drugs and can be accessed online through http://bio-hpc.eu/software/dia-db/.