Computer-Aided Design and Synthesis of Benzoxazole Derivatives for Potential Treatment of Visceral Leishmaniasis
Session Number
3
Advisor(s)
Dr. John Thurmond, IMSA
Location
A123
Discipline
Chemistry
Start Date
15-4-2026 2:15 PM
End Date
15-4-2026 3:00 PM
Abstract
Visceral leishmaniasis is a neglected tropical disease responsible for approximately 70,000 deaths each year, primarily affecting populations in tropical and subtropical regions. The disease is transmitted by infected sandflies and can lead to severe systemic illness if untreated. Because current treatments are limited and drug resistance is an increasing concern, the development of new therapeutic compounds remains critical. In collaboration with the Drugs for Neglected Diseases initiative Open Synthesis Network, this project explores structural modifications of the lead compound DNDI0003202833 identified through high-throughput screening against Leishmania parasites. Using computer-aided drug design (CADD) to guide compound selection, eight derivatives containing a 5-chloro-benzoxazole core were targeted for synthesis. These molecules were prepared through amide bond formation between benzoxazol-2-amine and selected carboxylic acids using EDCI and DMAP as coupling reagents. The results of this investigation and the relative effectiveness of these compounds will be presented
Computer-Aided Design and Synthesis of Benzoxazole Derivatives for Potential Treatment of Visceral Leishmaniasis
A123
Visceral leishmaniasis is a neglected tropical disease responsible for approximately 70,000 deaths each year, primarily affecting populations in tropical and subtropical regions. The disease is transmitted by infected sandflies and can lead to severe systemic illness if untreated. Because current treatments are limited and drug resistance is an increasing concern, the development of new therapeutic compounds remains critical. In collaboration with the Drugs for Neglected Diseases initiative Open Synthesis Network, this project explores structural modifications of the lead compound DNDI0003202833 identified through high-throughput screening against Leishmania parasites. Using computer-aided drug design (CADD) to guide compound selection, eight derivatives containing a 5-chloro-benzoxazole core were targeted for synthesis. These molecules were prepared through amide bond formation between benzoxazol-2-amine and selected carboxylic acids using EDCI and DMAP as coupling reagents. The results of this investigation and the relative effectiveness of these compounds will be presented