Prognoses of Antimalarial Effectivess from Studies of Relationships Between Molecular Constitution and Chemotherapeutic Response
William Paul Purcell · 1971
The purpose of the research is to eradicate chemotherapeutically malarias in the human host; drug resistant strains of P. falciparum constitute the primary target. Our aim is to suggest molecules for synthesis and testing which have a high probability of success as effective antimalarials. This study consists of Free-Wilson and Hansch analyses on a series of compounds to arrive at a consistent model describing the mechanism of interaction. The second major activity consists of molecular orbital calculations of molecules of interest as know or potential antimalarials. Studies in quantitative structure-activity relationships have also been undertaken to bring software to a higher level of sophistication. The decoding of the structure/sub-structure searching programs provided by Walter Reed has been accomplished during this report period. These programs have successfully been translated into language acceptable by the IBM 360/40 system.