Identification of a Common Pharmacophore for Binding to MMP2 and RGD Integrin: Towards a Multitarget Approach to Inhibit Cancer Angiogenesis and Metastasis

Molecules. 2022 Feb 12;27(4):1249. doi: 10.3390/molecules27041249.

Abstract

During tumor angiogenesis different growth factors, cytokines and other molecules interact closely with each other to facilitate tumor cell invasion and metastatic diffusion. The most intensively studied as molecular targets in anti-angiogenic therapies are vascular endothelial growth factor (VEGF) and related receptors, integrin receptors and matrix metalloproteinases (MMPs). Considering the poor efficacy of cancer angiogenesis monotherapies, we reasoned combining the inhibition of αvβ3 and MMP2 as a multitarget approach to deliver a synergistic blockade of tumor cell migration, invasion and metastasis. Accordingly, we identified a common pharmacophore in the binding cavity of MMP2 and αvβ3, demonstrating such approach with the design, synthesis and bioassays of tyrosine-derived peptidomimetics carrying the necessary functional groups to bind to key pharmacophoric elements of MMP2 and αvβ3 RGD integrin.

Keywords: cancer; drug discovery; matrix metalloproteinase; molecular docking; multitarget; organic synthesis; peptidomimetics.

MeSH terms

  • Angiogenesis Inhibitors* / chemical synthesis
  • Angiogenesis Inhibitors* / chemistry
  • Angiogenesis Inhibitors* / pharmacology
  • Antineoplastic Agents* / chemical synthesis
  • Antineoplastic Agents* / chemistry
  • Antineoplastic Agents* / pharmacology
  • Cell Line, Tumor
  • Humans
  • Integrin alphaVbeta3 / metabolism*
  • Matrix Metalloproteinase 2 / metabolism*
  • Neoplasm Proteins / metabolism*
  • Neoplasms* / blood supply
  • Neoplasms* / drug therapy
  • Neoplasms* / metabolism
  • Neovascularization, Pathologic* / drug therapy
  • Neovascularization, Pathologic* / metabolism

Substances

  • Angiogenesis Inhibitors
  • Antineoplastic Agents
  • Integrin alphaVbeta3
  • Neoplasm Proteins
  • MMP2 protein, human
  • Matrix Metalloproteinase 2