1hvr: Difference between revisions

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[[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="~~450~~" color="white" frame="true" align="right" spinBox="true"

caption="1hvr, resolution 1.8Å" />

'''RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS'''<br />

==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.

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 [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://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=1HVR OCA].

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==

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[[Category: Human immunodeficiency virus 1]]

[[Category: Single protein]]

[[Category: Chang, C.H.]]

[[Category: Chang, C H.]]

[[Category: HYD]]

[[Category: XK2]]

[[Category: hydrolase(acid proteinase)]]

''Page seeded by [http://~~ispc~~.weizmann.ac.il/oca OCA ] on Thu ~~Nov 8 14~~:08:~~19 2007~~''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:05:20 2008''

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@@ 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="450" color="white" frame="true" align="right" spinBox="true"
 caption="1hvr, resolution 1.8&Aring;" />
 '''RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS'''<br />
 ==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.
+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==
-HVR 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://ispc.weizmann.ac.il/oca-bin/ocashort?id=1HVR OCA].
+HVR 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==
@@ Line 14: / Line 13: @@
 [[Category: Human immunodeficiency virus 1]]
 [[Category: Single protein]]
-[[Category: Chang, C.H.]]
+[[Category: Chang, C H.]]
 [[Category: HYD]]
 [[Category: XK2]]
 [[Category: hydrolase(acid proteinase)]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Thu Nov  8 14:08:19 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:05:20 2008''