Document Type
Thesis
Date of Degree Completion
Spring 2007
Degree Name
Bachelor of Science
Department
Chemistry
Committee Chair
Dr. Levente Fabry-Astalos
Second Committee Member
Dr. Andrew A. Piacsek
Abstract
The malarial parasite Plasmodium falciparum is endemic to 50% of the world's population, killing three million people a year, many of whom are children under five years of age. Due in part to the development of malarial resistance to current drug therapies, novel drug targets are being sought. The malarial hemolytic aspartic protease Plasmepsins are such targets of rational drug design.
We are developing a methodology to rapidly generate combinatorial libraries of chemical structures using a one-dimensional representation (Simplified molecular input line entry specification (SMILES)) of a molecule, to automatically generate a minimized three-dimensional representation (SYBYLMOL2), and to screen this library for potential drug candidates using virtual molecular docking software (Molegro Virtual Docker, UCSF DOCK) and a Fuzzy Neural Network (FNN).
Recommended Citation
Abdul-Wahid, Christopher B., "Abstraction of Dimensional Relevance of Molecular Representation: Generation of Novel Inhibitors Against Malarial Plasmodium Falciparum Plasmepsin IV" (2007). Undergraduate Honors Theses. 57.
https://digitalcommons.cwu.edu/undergrad_hontheses/57
Comments
This thesis has been digitized and made available as part of the University’s ongoing preservation and access initiatives. Copyright is retained by the original author. The University has made a good faith effort to review this work for copyright and privacy concerns prior to digitization. If you are the author or a rights holder and have questions, concerns or wish to request removal, please contact ScholarWorks@cwu.edu.