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1hvh

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{{STRUCTURE_1hvh| PDB=1hvh | SCENE= }}
{{STRUCTURE_1hvh| PDB=1hvh | SCENE= }}
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'''NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS'''
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===NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS===
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==Overview==
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Comparison of the high-resolution X-ray structures of the native HIV-1 protease and its complexes with the inhibitors suggested that the enzyme flaps are flexible. The movement at the tip of the flaps could be as large as 7 A. On the basis of this observation, cyclic cyanoguanidines have been designed, synthesized, and evaluated as HIV-1 protease (PR) inhibitors. Cyclic cyanoguanidines were found to be very potent inhibitors of HIV-1 protease. The choice of cyclic cyanoguanidines over cyclic guanidines was based on the reduced basicity of the former. X-ray structure studies of the HIV PR complex with cyclic cyanoguanidine demonstrated that in analogy to cyclic urea, cyclic cyanoguanidines also displace the unique structural water molecule. The structure-activity relationship of the cyclic cyanoguanidines is compared with that of the corresponding cyclic urea analogues. The differences in binding constants of the two series of compounds have been rationalized using high-resolution X-ray structure information.
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==About this Structure==
==About this Structure==
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[[Category: Acid protease]]
[[Category: Acid protease]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 08:51:31 2008''

Revision as of 05:51, 1 July 2008

Image:1hvh.png

Template:STRUCTURE 1hvh

NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS

Template:ABSTRACT PUBMED 9554878

About this Structure

1HVH is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.

Reference

Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies., Jadhav PK, Woerner FJ, Lam PY, Hodge CN, Eyermann CJ, Man HW, Daneker WF, Bacheler LT, Rayner MM, Meek JL, Erickson-Viitanen S, Jackson DA, Calabrese JC, Schadt M, Chang CH, J Med Chem. 1998 Apr 23;41(9):1446-55. PMID:9554878

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