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Matrix Metalloproteinase Focused Library

Matrix metalloproteinases (MMPs) are zinc-dependent endoproteinases that cleave extracellular proteins. MMPs have long been used as promising targets for treatment of various pathologies, including cancer (tumor angiogenesis and metastases), osteoarthritis (OA), inflammation, periodontitis, vascular disease, remodeling after myocardial infarction, neurodegenerative diseases and neuropsychiatric disorders [4-5]. Development of MMP inhibitors, usually proceeding along the path of inhibition of the active site of Zn2+, was often misinterpreted due to the lack of specificity and subsequent side effects [5].

Taking this into account, Life Chemicals has designed its Screening Library of over 3,100 potential matrix metalloproteinase inhibitors based on rigid selection by structural and physicochemical parameters (Fig. 1-3).

The compound selection can be customized based on your requirements, cherry picking is available.

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Cancer types involve matrix metalloproteinases and compounds from the Life Chemicals library that inhibit these enzymes.

 Figure 1. Cancer types involve matrix metalloproteinases and compounds from the Life Chemicals library that inhibit these enzymes.

 Various pathologies involving matrix metalloproteinases and compounds from the Life Chemicals library inhibit these enzymes.

Figure 2. Various pathologies involving matrix metalloproteinases and compounds from the Life Chemicals library inhibit these enzymes.

Background information

Matrix metalloproteases are found in all kingdoms of life and belong to the metzincin superfamily of metalloproteinases characterized by the presence of a catalytic zinc atom in their active center. At least 25 different vertebrate MMPs have been identified, 24 of which are present in humans: collagenases (MMP type - 1, 8, 13), gelatinases (MMP 2, 9), MT-MMPs (MMP 14, 15, 16, 17, 24, 25), stromelysins (MMP 3, 10, 11), matrilysin (MMP 7, 26) and other types 12, 19-21, 23A / B, 27, 28 [1-2].

Over the past 20 years, additional intracellular functions of MMPs have been discovered. Intracellular MMPs are involved in the pathogenesis of various diseases, such as cardiovascular and renal disorders, inflammation, and malignancy. They also have antiviral and bactericidal effects. It should be pointed out that MMPs can act intracellularly through both protease-dependent and protease-independent mechanisms [3].

Compound selection

Initially, about 30,000 reference compounds with known MMPs blocking activity were obtained from the CHEMBL database. The compounds were filtered to keep only those possessing moderate and high activity against MMPs, and that narrowed down a set to 7,085 compounds. In the next step, the similarity search of the reference set was performed against the Life Chemicals HTS Compound Collection, employing 2D molecular fingerprints and two similarity metrics (Tanimoto > 0.75). Afterward, Lipinski’s Rule of Five filters were applied to include only drug-like compounds. In addition, PAINS compounds and those with "bad" and reactive groups were discarded.

The Matrix Metalloproteinase Focused Library contains over 3,100 screening compounds with predicted activity against the following targets:

  • 1,2-dihydroxy-3-keto-5- methylthiopentene dioxygenase
  • 72 kDa type IV collagenase
  • Collagenase
  • Collagenase 3
  • Matrix metalloproteinase 1
  • Matrix metalloproteinase 2
  • Matrix metalloproteinase 3
  • Matrix metalloproteinase 9
  • Matrix metalloproteinase 11
  • Matrix metalloproteinase 12
  • Matrix metalloproteinase 13
  • Matrix metalloproteinase 14
  • Matrix metalloproteinase 15


Figure 3. Example of representative molecules from the Matrix Metalloproteinase Focused Library selected on the base of the reference compound set.

 Representative compounds from the Matrix Metalloproteinase-focused Screening Set


  1. Fanjul-Fernández M, Folgueras AR, Cabrera S, López-Otín C. Matrix metalloproteinases: evolution, gene regulation and functional analysis in mouse models // Biochim Biophys Acta. 2010 Jan;1803(1):3-19.
  2. Rydlova M1, Holubec L Jr, Ludvikova M Jr, Kalfert D, Franekova J, Povysil C, Ludvikova M. Biological activity and clinical implications of the matrix metalloproteinases // Anticancer Res. 2008 Mar-Apr;28(2B):1389-97.
  3. Bassiouni W, Ali MAM, Schulz R. Multifunctional intracellular matrix metalloproteinases: implications in disease. FEBS J. 2021;288(24):7162-7182. doi:10.1111/febs.15701.
  4. Liu Y, Mu Y, Li Z, Yong VW, Xue M. Extracellular matrix metalloproteinase inducer in brain ischemia and intracerebral hemorrhage. Front Immunol. 2022;13:986469. Published 2022 Aug 31. doi:10.3389/fimmu.2022.986469.
  5. Fields GB. New strategies for targeting matrix metalloproteinases // Matrix Biol. 2015 May- Jul;44-46:239-46.
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