2hu6: Difference between revisions

From Proteopedia
Jump to navigationJump to search
← Older editNewer edit →
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,332,843 edits
No edit summary
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,332,843 edits
No edit summary
Line 1: Line 1:
[[Image:2hu6.jpg|left|200px]]
{{Seed}}
[[Image:2hu6.png|left|200px]]


<!--
<!--
Line 9: Line 10:
{{STRUCTURE_2hu6|  PDB=2hu6  |  SCENE=  }}  
{{STRUCTURE_2hu6|  PDB=2hu6  |  SCENE=  }}  


'''Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor'''
===Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor===




==Overview==
<!--  
Starting from 3-aza-6,8-dioxa-bicyclo[3.2.1]octane scaffold (BTAa) a virtual library of molecules was generated and screened in silico against the crystal structure of the Human Macrophage Metalloelastase (MMP-12). The molecules obtaining high score were synthesized and the affinity for the catalytic domain of MMP-12 was experimentally proved by NMR experiments. A BTAa scaffold 20 having a N-hydroxyurea group in position 3 and a p-phenylbenzylcarboxy amide in position 7 showed a fair inhibition potency (IC50 = 149 microM) for MMP-12 and some selectivity towards five different MMPs. These results, taken together with the X-ray structure of the adduct between MMP-12, the inhibitor 20 and the acetohydroxamic acid (AHA), suggest that bicyclic scaffold derivatives may be exploited for the design of new selective matrix metalloproteinase inhibitors (MMPIs).
The line below this paragraph, {{ABSTRACT_PUBMED_16899369}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 16899369 is the PubMed ID number.
-->
{{ABSTRACT_PUBMED_16899369}}


==About this Structure==
==About this Structure==
Line 36: Line 40:
[[Category: Matrix metalloproteinase]]
[[Category: Matrix metalloproteinase]]
[[Category: Mmp-12]]
[[Category: Mmp-12]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 06:42:55 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 07:45:33 2008''

Revision as of 04:45, 28 July 2008

File:2hu6.png

Template:STRUCTURE 2hu6

Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor

Template:ABSTRACT PUBMED 16899369

About this Structure

2HU6 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors., Mannino C, Nievo M, Machetti F, Papakyriakou A, Calderone V, Fragai M, Guarna A, Bioorg Med Chem. 2006 Nov 15;14(22):7392-403. Epub 2006 Aug 8. PMID:16899369

Page seeded by OCA on Mon Jul 28 07:45:33 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "https://proteopedia.org/index.php?title=2hu6&oldid=688353"