1hvr
From Proteopedia
(New page: 200px<br /> <applet load="1hvr" size="450" color="white" frame="true" align="right" spinBox="true" caption="1hvr, resolution 1.8Å" /> '''RATIONAL DESIGN OF P...) |
|||
| Line 1: | Line 1: | ||
| - | [[Image:1hvr.gif|left|200px]]<br /> | + | [[Image:1hvr.gif|left|200px]]<br /><applet load="1hvr" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="1hvr" size=" | + | |
caption="1hvr, resolution 1.8Å" /> | caption="1hvr, resolution 1.8Å" /> | ||
'''RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS'''<br /> | '''RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS'''<br /> | ||
==Overview== | ==Overview== | ||
| - | Mechanistic information and structure-based design methods have been used | + | Mechanistic information and structure-based design methods have been used to design a series of nonpeptide cyclic ureas that are potent inhibitors of human immunodeficiency virus (HIV) protease and HIV replication. A fundamental feature of these inhibitors is the cyclic urea carbonyl oxygen that mimics the hydrogen-bonding features of a key structural water molecule. The success of the design in both displacing and mimicking the structural water molecule was confirmed by x-ray crystallographic studies. Highly selective, preorganized inhibitors with relatively low molecular weight and high oral bioavailability were synthesized. |
==About this Structure== | ==About this Structure== | ||
| - | 1HVR is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with HYD and XK2 as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http:// | + | 1HVR is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with <scene name='pdbligand=HYD:'>HYD</scene> and <scene name='pdbligand=XK2:'>XK2</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HVR OCA]. |
==Reference== | ==Reference== | ||
| Line 14: | Line 13: | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Chang, C | + | [[Category: Chang, C H.]] |
[[Category: HYD]] | [[Category: HYD]] | ||
[[Category: XK2]] | [[Category: XK2]] | ||
[[Category: hydrolase(acid proteinase)]] | [[Category: hydrolase(acid proteinase)]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:05:20 2008'' |
Revision as of 11:05, 21 February 2008
|
RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS
Overview
Mechanistic information and structure-based design methods have been used to design a series of nonpeptide cyclic ureas that are potent inhibitors of human immunodeficiency virus (HIV) protease and HIV replication. A fundamental feature of these inhibitors is the cyclic urea carbonyl oxygen that mimics the hydrogen-bonding features of a key structural water molecule. The success of the design in both displacing and mimicking the structural water molecule was confirmed by x-ray crystallographic studies. Highly selective, preorganized inhibitors with relatively low molecular weight and high oral bioavailability were synthesized.
About this Structure
1HVR is a Single protein structure of sequence from Human immunodeficiency virus 1 with and as ligands. Full crystallographic information is available from OCA.
Reference
Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors., Lam PY, Jadhav PK, Eyermann CJ, Hodge CN, Ru Y, Bacheler LT, Meek JL, Otto MJ, Rayner MM, Wong YN, et al., Science. 1994 Jan 21;263(5145):380-4. PMID:8278812
Page seeded by OCA on Thu Feb 21 13:05:20 2008
