This thesis project incorporates the principles of rational and computer aided drug design in the quest for an improved anti-malarial agent. The target, a pathway for isoprenoid biosynthesis (the deoxy-D-xylulose-5-phosphate (DOXP) pathway) occurs in the parasite plastid – the apicoplast, and among the factors that make it an excellent target for an anti-malarial agent is its uniqueness from the pathway in the host, thus accounting for its specificity and low toxicity. A library of 18 potential anti malarial analogues/ ligands were designed and tested in silico against the receptor using molecular docking. The analogue L ο (omicron) - {3-[acetyl(hydroxy)amino]-1-hydroxypropyl} phosphonic acid was found to be the most promising anti malarial analogue and it may be worthwhile to subject the molecule to further analysis and comprehensive evaluation.

Library of Congress Subject Headings

Drugs--Design; Malariotherapy

Publication Date


Document Type


Department, Program, or Center

Thomas H. Gosnell School of Life Sciences (COS)


Osier, Michael

Advisor/Committee Member

Craig, Paul


Note: imported from RIT’s Digital Media Library running on DSpace to RIT Scholar Works. Physical copy available through RIT's The Wallace Library at: RS420 .T46 2009


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