29 - Utilizing Open Source Research Data to Combat Neglected Diseases

Background: This poster describes the creation and administration of a three-phase Medicinal Chemistry Cheminformatics Concentration Track for pharmacy students enrolled at the Massachusetts College of Pharmacy and Health Sciences. Students learn to use chemistry databases and open data sources to curate and analyze early drug discovery chemical data focusing on neglected diseases. The class is co-taught by two medicinal chemists and a librarian faculty. The project's goals are 1) to increase health care personnel training in pharma-relevant informatics, 2) apply data management skills to curate, analyze and use a cheminformatics database, and 3) synthesize new chemical compounds aimed at treating neglected diseases.

Description: Three-course syllabi were created to develop a Medicinal Chemistry Cheminformatics Track: A Cheminformatics Elective, a Neglected Disease Medicinal Chemistry Research Elective (focusing on American Trypanosomiasis and Leishmaniasis), and an Advanced Pharmacy Practice Experience research elective. The objectives were to instruct students how to use PubChem, MMDB, ChemDraw, SciFinder, and chemistry open data sets. They also learn the fundamentals of the StarDrop™ software to analyze the data set. Novel drug-like structures identified were synthesized, tested, and placed on open source chemical/biological data-sharing platforms.

Evaluation of the project included: 1) curricular track approval; 2) the number of students completing the track; and 3) the number of novel compounds synthesized along with the dissemination of results.

Conclusion: The goals of the project were achieved: 1) the Medicinal Chemistry Cheminformatics Track was approved 2) ten students enrolled and eight completed the track, and 3) all students successfully utilized the StarDrop™ software to analyze the open-source DNDi chemical data. Students designed and synthesized new drug-like targets for the neglected diseases, five highly active compounds are being further explored. Students presented five posters at national meetings and submitted one manuscript to a peer-reviewed journal. The availability of chemical data for neglected diseases in an open-source format provides an attractive target for developing a cheminformatics track. The successful first year of the track led to improved students' cheminformatics skills and the synthesis of novel compounds to treat neglected diseases.