Leishmaniasis and Its Potential Treatments Through Synthesis and Computation
Session Number
Project ID: CHEM 10
Advisor(s)
Dr. John Thurmond, Illinois Mathematics and Science Academy
Discipline
Chemistry
Start Date
17-4-2024 9:20 AM
End Date
17-4-2024 9:35 AM
Abstract
We are investigating a series of potential cures for the neglected tropical disease Leishmaniasis through both lab-synthesized compounds and computationally derived molecules. Leishmaniasis is a disease endemic to much of the developing and undeveloped world and caused an estimated 30,000 to 50,000 deaths in the past year alone. Despite its widespread nature, current Leishmaniasis treatments are not fully effective, with toxic side effects or inability to counter certain strains of the disease. Thus, our aim is to follow leads from the Drugs for Neglected Diseases Initiative (DNDi) and develop potential cures for Leishmaniasis based on these leads. To do so, we both synthesize molecules labeled as potential treatments to send to a lab associated with the DNDi for further clinical trials and discover more treatments through the creation of molecules and calculate their ability to inhibit Leishmania proteins using the SeeSAR program. Our group has synthesized seven unique compounds from the DNDi lead and discovered two other potential leads computationally.
Leishmaniasis and Its Potential Treatments Through Synthesis and Computation
We are investigating a series of potential cures for the neglected tropical disease Leishmaniasis through both lab-synthesized compounds and computationally derived molecules. Leishmaniasis is a disease endemic to much of the developing and undeveloped world and caused an estimated 30,000 to 50,000 deaths in the past year alone. Despite its widespread nature, current Leishmaniasis treatments are not fully effective, with toxic side effects or inability to counter certain strains of the disease. Thus, our aim is to follow leads from the Drugs for Neglected Diseases Initiative (DNDi) and develop potential cures for Leishmaniasis based on these leads. To do so, we both synthesize molecules labeled as potential treatments to send to a lab associated with the DNDi for further clinical trials and discover more treatments through the creation of molecules and calculate their ability to inhibit Leishmania proteins using the SeeSAR program. Our group has synthesized seven unique compounds from the DNDi lead and discovered two other potential leads computationally.