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Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.

Thiel P, Röglin L, Meissner N, Hennig S, Kohlbacher O, Ottmann C
Chem Commun (Camb) 49 8468-70 (2013)
Related entries: 3t0l, 3t0m, 4dhm, 4dhn, 4dho, 4dhp, 4dhq, 4dhr, 4dhs, 4dhu

Cited: 21 times
EuropePMC logo PMID: 23939230

Abstract

We report first non-covalent and exclusively extracellular inhibitors of 14-3-3 protein-protein interactions identified by virtual screening. Optimization by crystal structure analysis and in vitro binding assays yielded compounds capable of disrupting the interaction of 14-3-3σ with aminopeptidase N in a cellular assay.

Reviews - 4dht mentioned but not cited (1)

  1. Modulators of 14-3-3 Protein-Protein Interactions. Stevers LM, Sijbesma E, Botta M, MacKintosh C, Obsil T, Landrieu I, Cau Y, Wilson AJ, Karawajczyk A, Eickhoff J, Davis J, Hann M, O'Mahony G, Doveston RG, Brunsveld L, Ottmann C. J Med Chem 61 3755-3778 (2018)

Articles - 4dht mentioned but not cited (1)

  1. Structure-based evolution of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions. Sijbesma E, Visser E, Plitzko K, Thiel P, Milroy LG, Kaiser M, Brunsveld L, Ottmann C. Nat Commun 11 3954 (2020)


Reviews citing this publication (9)

  1. The re-emergence of natural products for drug discovery in the genomics era. Harvey AL, Edrada-Ebel R, Quinn RJ. Nat Rev Drug Discov 14 111-129 (2015)
  2. The dynamic and stress-adaptive signaling hub of 14-3-3: emerging mechanisms of regulation and context-dependent protein-protein interactions. Pennington KL, Chan TY, Torres MP, Andersen JL. Oncogene 37 5587-5604 (2018)
  3. Hierarchical virtual screening approaches in small molecule drug discovery. Kumar A, Zhang KY. Methods 71 26-37 (2015)
  4. Extracellular functions of 14-3-3 adaptor proteins. Kaplan A, Bueno M, Fournier AE. Cell Signal 31 26-30 (2017)
  5. 14-3-3: A Case Study in PPI Modulation. Ballone A, Centorrino F, Ottmann C. Molecules 23 E1386 (2018)
  6. Molecular insight into specific 14-3-3 modulators: Inhibitors and stabilisers of protein-protein interactions of 14-3-3. Hartman AM, Hirsch AKH. Eur J Med Chem 136 573-584 (2017)
  7. 14-3-3σ and Its Modulators in Cancer. Aljabal G, Yap BK. Pharmaceuticals (Basel) 13 E441 (2020)
  8. Small molecules, peptides and natural products: getting a grip on 14-3-3 protein-protein modulation. Bartel M, Schäfer A, Stevers LM, Ottmann C. Future Med Chem 6 903-921 (2014)
  9. Abrogating the Interaction Between p53 and Mortalin (Grp75/HSPA9/mtHsp70) for Cancer Therapy: The Story so far. Elwakeel A. Front Cell Dev Biol 10 879632 (2022)

Articles citing this publication (10)

  1. New Frontiers in Druggability. Kozakov D, Hall DR, Napoleon RL, Yueh C, Whitty A, Vajda S. J Med Chem 58 9063-9088 (2015)
  2. Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions. Krüger DM, Glas A, Bier D, Pospiech N, Wallraven K, Dietrich L, Ottmann C, Koch O, Hennig S, Grossmann TN. J Med Chem 60 8982-8988 (2017)
  3. Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Sijbesma E, Skora L, Leysen S, Brunsveld L, Koch U, Nussbaumer P, Jahnke W, Ottmann C. Biochemistry 56 3972-3982 (2017)
  4. Revealing the binding modes and the unbinding of 14-3-3σ proteins and inhibitors by computational methods. Hu G, Cao Z, Xu S, Wang W, Wang J. Sci Rep 5 16481 (2015)
  5. Discovery of Small-Molecule Stabilizers of 14-3-3 Protein-Protein Interactions via Dynamic Combinatorial Chemistry. Hartman AM, Elgaher WAM, Hertrich N, Andrei SA, Ottmann C, Hirsch AKH. ACS Med Chem Lett 11 1041-1046 (2020)
  6. Molecular Dynamics Investigations Suggest a Non-specific Recognition Strategy of 14-3-3σ Protein by Tweezer: Implication for the Inhibition Mechanism. Shi M, Xu D. Front Chem 7 237 (2019)
  7. Rational Design, Binding Studies, and Crystal-Structure Evaluation of the First Ligand Targeting the Dimerization Interface of the 14-3-3ζ Adapter Protein. Ehlers M, Grad JN, Mittal S, Bier D, Mertel M, Ohl L, Bartel M, Briels J, Heimann M, Ottmann C, Sanchez-Garcia E, Hoffmann D, Schmuck C, Schmuck C. Chembiochem 19 591-595 (2018)
  8. Solvent accessibility of E1α and E1β residues with known missense mutations causing pyruvate dehydrogenase complex (PDC) deficiency: Impact on PDC-E1 structure and function. Ducich NH, Mears JA, Bedoyan JK. J Inherit Metab Dis 45 557-570 (2022)
  9. Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins. Yilmaz E, Bier D, Guillory X, Briels J, Ruiz-Blanco YB, Sanchez-Garcia E, Ottmann C, Kaiser M. Chemistry 24 13807-13814 (2018)
  10. MMP activation-associated aminopeptidase N reveals a bivalent 14-3-3 binding motif. Kiehstaller S, Ottmann C, Hennig S. J Biol Chem 295 18266-18275 (2020)


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