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Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors.

Alcaraz LA, Banci L, Bertini I, Cantini F, Donaire A, Gonnelli L
J Biol Inorg Chem 12 1197-206 (2007)
Related entries: 2jt5, 2jt6

Cited: 16 times
EuropePMC logo PMID: 17710450

Abstract

We structurally characterized the adducts of the catalytic domain of matrix metalloproteinase-3 (MMP3) with three different nonpeptidic inhibitors by solving the solution structure of one adduct [MMP3-N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid] and then by calculating structural models of the other two adducts using a reduced set of experimental NMR data, following a recently proposed procedure (Bertini et al. in J. Med. Chem. 48:7544-7559, 2005). The inhibitors were selected with the criteria of maintaining in all of them the same zinc-coordinating moiety and of selectively changing the substituents and/or the functional groups. The backbone dynamics on various time scales have been characterized as well. The comparison among these structures and with others previously reported allowed us to elucidate fine details of inhibitor-receptor interactions and to develop some criteria, which could guide in optimizing the design of selective inhibitors.

Articles - 2jnp mentioned but not cited (3)

  1. Potassium channel modulation by a toxin domain in matrix metalloprotease 23. Rangaraju S, Khoo KK, Feng ZP, Crossley G, Nugent D, Khaytin I, Chi V, Pham C, Calabresi P, Pennington MW, Norton RS, Chandy KG. J Biol Chem 285 9124-9136 (2010)
  2. A multidisciplinary approach to probing enthalpy-entropy compensation and the interfacial mobility model. Wilfong EM, Kogiso Y, Muthukrishnan S, Kowatz T, Du Y, Bowie A, Naismith JH, Hadad CM, Toone EJ, Gustafson TL. J Am Chem Soc 133 11515-11523 (2011)
  3. A network pharmacology method explores the molecular mechanism of Coptis chinensis for the treatment of Alzheimer's disease. Qian Q, Luo WL. Medicine (Baltimore) 103 e37103 (2024)


Reviews citing this publication (1)

  1. Rational approaches to improving selectivity in drug design. Huggins DJ, Sherman W, Tidor B. J Med Chem 55 1424-1444 (2012)

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  2. MMP-3 provokes CTGF/CCN2 production independently of protease activity and dependently on dynamin-related endocytosis, which contributes to human dental pulp cell migration. Muromachi K, Kamio N, Narita T, Annen-Kamio M, Sugiya H, Matsushima K. J Cell Biochem 113 1348-1358 (2012)
  3. Overexpressed C-type natriuretic peptide serves as an early compensatory response to counteract extracellular matrix remodeling in unilateral ureteral obstruction rats. Hu P, Wang J, Zhao XQ, Hu B, Lu L, Qin YH. Mol Biol Rep 40 1429-1441 (2013)
  4. Mechanistic Insights into Biological Activities of Polyphenolic Compounds from Rosemary Obtained by Inverse Molecular Docking. Lešnik S, Bren U. Foods 11 67 (2021)
  5. Catalytic domain of MMP20 (Enamelysin) - the NMR structure of a new matrix metalloproteinase. Arendt Y, Banci L, Bertini I, Cantini F, Cozzi R, Del Conte R, Gonnelli L. FEBS Lett 581 4723-4726 (2007)
  6. Cell-to-cell signaling at the neuromuscular junction: the dynamic role of the extracellular matrix. Werle MJ. Ann N Y Acad Sci 1132 13-18 (2008)
  7. A macrophage cell model for selective metalloproteinase inhibitor design. Jacobsen FE, Buczynski MW, Dennis EA, Cohen SM. Chembiochem 9 2087-2095 (2008)
  8. Efficacy of Chondroprotective Food Supplements Based on Collagen Hydrolysate and Compounds Isolated from Marine Organisms. Eckert T, Jährling-Butkus M, Louton H, Burg-Roderfeld M, Zhang R, Zhang N, Hesse K, Petridis AK, Kožár T, Steinmeyer J, Schauer R, Engelhard P, Kozarova A, Hudson JW, Siebert HC. Mar Drugs 19 542 (2021)
  9. Design, synthesis and biological evaluation of Lenalidomide derivatives as tumor angiogenesis inhibitor. Hu S, Yuan L, Yan H, Li Z. Bioorg Med Chem Lett 27 4075-4081 (2017)
  10. Inhibiting Matrix Metalloproteinase 3 Ameliorates Neuronal Loss in the Ganglion Cell Layer of Rats in Retinal Ischemia/Reperfusion. Hu T, You Q, Chen D, Tong J, Shang L, Luo J, Qiu Y, Yu H, Zeng L, Huang J. Neurochem Res 41 1107-1118 (2016)
  11. Matrix metalloproteinase-2 inhibition by temocapril and its important role in peritoneal transport. Yamamoto D, Takai S, Akimoto T, Hirahara I, Ito C, Muto S, Kusano E. Clin Exp Pharmacol Physiol 39 864-868 (2012)
  12. Resonance assignments for stromelysin complexed with a beta-sulfonyl hydroxamate inhibitor. Sahasrabudhe PV, Stockman BJ. Biomol NMR Assign 3 183-186 (2009)


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