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Literature summary extracted from

  • Jerah, A.; Hobani, Y.; Kumar, B.V.; Bidwai, A.
    Curcumin binds in silico to anti-cancer drug target enzyme MMP-3 (human stromelysin-1) with affinity comparable to two known inhibitors of the enzyme (2015), Bioinformation, 11, 387-392 .
    View publication on PubMedView publication on EuropePMC

Application

EC Number Application Comment Organism
3.4.24.17 drug development human enzyme MMP-3, i.e. stromelysin-1, is an anti-cancer drug target Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.4.24.17 5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione MPPT, enzyme binding structure analysis Homo sapiens
3.4.24.17 curcumin i.e. 1,7-bis (4-hydroxy-3-methoxyphenol)-1,6-heptadiene-3,5-dione, molecular docking and prediction of binding interactions of curcumin with active site residues Homo sapiens
3.4.24.17 additional information interactions of curcumin with MMP-3 are compared to those of two known inhibitors of the enzyme, PBSA and MPPT, curcumin binds with affinity comparable to or better than the two known inhibitors Homo sapiens
3.4.24.17 [4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid PBSA, enzyme binding structure analysis Homo sapiens

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
3.4.24.17 extracellular
-
 Homo sapiens
-
-

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
3.4.24.17 Ca2+ required, the catalytic domains contain Ca2+ ions Homo sapiens
3.4.24.17 Zn2+ a zinc metalloproteinase Homo sapiens

Organism

EC Number Organism UniProt Comment Textmining
3.4.24.17 Homo sapiens P08254
-
-

Synonyms

EC Number Synonyms Comment Organism
3.4.24.17 MMP-3
-
 Homo sapiens
3.4.24.17 stromelysin-1
-
 Homo sapiens

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
3.4.24.17 0.000036
-
 curcumin pH and temperature not specified in the publication Homo sapiens
3.4.24.17 0.00005
-
 5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione pH and temperature not specified in the publication Homo sapiens
3.4.24.17 0.000098
-
 [4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid pH and temperature not specified in the publication Homo sapiens

General Information

EC Number General Information Comment Organism
3.4.24.17 additional information the active site of MMPs consists of two distinct regions: a groove in the protein surface, centered on the catalytic zinc ion and an S1 specificity site that varies considerably among members of the family. Bound inhibitors adopt extended conformations within the groove, make several hydrogen bonds with the enzyme and provide the fourth ligand for the catalytic zinc ion. The S1 subsite apparently plays a significant role in determining the substrate specificity in the active enzymes Homo sapiens