Wang, Yong; Dewdney, Tamaria G.; Liu, Zhigang; Reiter, Samuel J.; Brunzelle, Joseph S.; Kovari, Iulia A.; Kovari, Ladislau C.
X-RAY CRYSTAL STRUCTURE AND DYNAMICS REVEAL HIV-1 PROTEASE DRUG INTERACTIONS
STUDIA UNIVERSITATIS BABES-BOLYAI CHEMIA, 56:221-230, 2011

The dynamic movement of HIV-1 protease is an important feature for inhibitor design. The wide-open form of multi-drug resistant HIV-1 protease solved by our group exhibits an increase in flap distance. Stabilizing the protease flaps could be a strategy to overcome drug resistance. A peptidic inhibitor stabilizing the protease-inhibitor complex and a structural novel inhibitor targeting the wide-open form protease have been identified as a new scaffold for drug development.

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