STRUCTURE BASED DRUG DESIGN FOR TX OF PARASITIC VIRAL DIS: AIDS ENZYME STRUCT

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We are using the interactive molecular graphics facilities available at the Computer Graphics Laboratory to view and model AIDS enzyme structures and compare potential molecular fits with active sites. This utilizes a very large data base. The goal of the research is to develop new chemical agents for the inhibition of HIV RT. The aims are to inhibit the enzyme which builds HIV DNA in as many positions as possible and as effectively as possible. These computer studies will assist us in designing new enzyme inhibitors and assessing the mode of action of our successful candidates. Potential inhibitors have been identified by the computer and tested against the retorvirus (RT). The successful computer modeling studies llow us to reduce the number of potential inhibitors to be synthesized and tested, saving much time, effort and money.