Development of Novel Broad-Range Antischistomal Agents by Structure-Based Design and Structure Activity Relationship Studies

Rhodes, Jayce
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Effecting more than 290 million people in over 78 countries and only one current treatment in use, the parasitic disease human schistosomiasis is in danger of producing drug resistance through mass drug administration with no alterative therapy available. The only drug of choice, Praziquantel (PZQ), is effective against all three major species, but its inability to kill juvenile worms, and potential for drug resistance arises, the need for novel, broad range anti-schistosomal agents arises. The development of new therapeutics for co-treatment is accomplished through structure-based design, synthesis, and optimization. Oxamniquine (OXA) had been used for treatment until cost and drug resistance required another to become the drug of choice. With the source of drug resistance and mechanism of action established, OXA derivatives prove to be of interest for revisiting the FDA approved molecule. A structure-based approach was used to design effective derivatives of OXA and optimized through a structure-activity relationship study. In vitro studies, in vivo studies for 3 new lead compounds and x-ray crystal structure of lead compound CIDD-0150610 are reported through the development of new lead OXA derivatives.

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medicinal chemistry, organic chemistry, schistosomiasis, x-ray crystal structure