Structure-based drug design proteases

Rutenber E, Fauman EB, Keenan RJ, Ortiz de Montellano PR, Meng E, Kuntz ID, DeCamp DL, Salto R, Rose JR, Craik CS, Stroud RM. Structure of a nonpeptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design. J Biol Chem 1993 268 15343-6... 

HIV-1 Protease Structure-Based Drug Design Using the Free... 

Kalish JV, Tatlock JH, Davies JF, Kaldor SW, Dressman BA, Reich S, Pino M, Nyugen D, Appelt K, Musick L, Wu B-W. Structure-based drug design of nonpeptidic P2 substituents for HIV-1 protease inhibitors. Bioorg. Med. Chem. Lett. 1995 5 727-732. 

Protease structure-based drug design HIV protease-targeted peptidomimetics and nonpeptides... 

Since the structure of the DFP-treated serine proteases resembles that of the tetrahedral transition-state intermediate, and the inactivated enzyme would not be susceptible to autoproteolysis, production of DIP-CMV protease would be useful for structure based drug design. 

Figure 28-27 The six HIV-1 protease inhibitors given FOA approval between 1994 and 1999 were designed by using structure-based drug design methods.

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