1if7: Difference between revisions

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==Overview==

Combinatorial small molecule growth algorithm was used to design, inhibitors for human carbonic anhydrase II. Two enantiomeric candidate, molecules were predicted to bind with high potency (with R isomer binding, stronger than S), but in two distinct conformations. The experiments, verified that computational predictions concerning the binding affinities, and the binding modes were correct for both isomers. The designed R isomer, is the best-known inhibitor (K(d) approximately 30 pM) of human carbonic, anhydrase II.

Combinatorial small molecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct conformations. The experiments verified that computational predictions concerning the binding affinities and the binding modes were correct for both isomers. The designed R isomer is the best-known inhibitor (K(d) approximately 30 pM) of human carbonic anhydrase II.

==Disease==

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[[Category: Single protein]]

[[Category: Chapman, R.]]

[[Category: Christianson, D.W.]]

[[Category: Christianson, D W.]]

[[Category: Grzybowski, B.A.]]

[[Category: Grzybowski, B A.]]

[[Category: Ishchenko, A.V.]]

[[Category: Ishchenko, A V.]]

[[Category: Kim, C.Y.]]

[[Category: Kim, C Y.]]

[[Category: Shakhnovich, E.I.]]

[[Category: Shakhnovich, E I.]]

[[Category: Topalov, G.]]

[[Category: Whitesides, G.M.]]

[[Category: Whitesides, G M.]]

[[Category: HG]]

[[Category: SBR]]

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[[Category: carbonic anhydrase ii]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Fri~~ Feb ~~15 16~~:01:08 2008''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:11:17 2008''

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@@ Line 4: / Line 4: @@
 ==Overview==
-Combinatorial small molecule growth algorithm was used to design, inhibitors for human carbonic anhydrase II. Two enantiomeric candidate, molecules were predicted to bind with high potency (with R isomer binding, stronger than S), but in two distinct conformations. The experiments, verified that computational predictions concerning the binding affinities, and the binding modes were correct for both isomers. The designed R isomer, is the best-known inhibitor (K(d) approximately 30 pM) of human carbonic, anhydrase II.
+Combinatorial small molecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct conformations. The experiments verified that computational predictions concerning the binding affinities and the binding modes were correct for both isomers. The designed R isomer is the best-known inhibitor (K(d) approximately 30 pM) of human carbonic anhydrase II.
 ==Disease==
@@ Line 18: / Line 18: @@
 [[Category: Single protein]]
 [[Category: Chapman, R.]]
-[[Category: Christianson, D.W.]]
+[[Category: Christianson, D W.]]
-[[Category: Grzybowski, B.A.]]
+[[Category: Grzybowski, B A.]]
-[[Category: Ishchenko, A.V.]]
+[[Category: Ishchenko, A V.]]
-[[Category: Kim, C.Y.]]
+[[Category: Kim, C Y.]]
-[[Category: Shakhnovich, E.I.]]
+[[Category: Shakhnovich, E I.]]
 [[Category: Topalov, G.]]
-[[Category: Whitesides, G.M.]]
+[[Category: Whitesides, G M.]]
 [[Category: HG]]
 [[Category: SBR]]
@@ Line 31: / Line 31: @@
 [[Category: carbonic anhydrase ii]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:01:08 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:11:17 2008''