HIV/AIDS
Data on HIV/AIDS Described by Researchers at Yale University
Published in AIDS Weekly, February 20th, 2012
2012 FEB 20 -- According to the authors of a study from New Haven, Connecticut, "A 5-mu M docking hit has been optimized to an extraordinarily potent (55 pM) non-nucleoside inhibitor of HIV reverse transcriptase. Use of free energy perturbation (PEP) calculations to predict relative free energies of binding aided the optimizations by identifying optimal substitution patterns for phenyl rings and a linker."
"The most potent resultant catechol diethers feature terminal uracil and cyanovinylphenyl groups. A halogen bond with Pro95 likely contributes to the extreme potency of compound 42," wrote M. Bollini and colleagues, Yale University.
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Source: AIDS Weekly (2012-02-20)
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