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Please use this identifier to cite or link to this item: https://doi.org/10.21256/zhaw-1687
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dc.contributor.authorLanz, Jan-
dc.contributor.authorRiedl, Rainer-
dc.date.accessioned2018-02-16T14:56:30Z-
dc.date.available2018-02-16T14:56:30Z-
dc.date.issued2015-
dc.identifier.issn1860-7187de_CH
dc.identifier.issn1860-7179de_CH
dc.identifier.urihttps://digitalcollection.zhaw.ch/handle/11475/2862-
dc.descriptionCoverpicture: https://doi.org/10.1002/cmdc.201590003de_CH
dc.description.abstractThe de novo design of molecules from scratch with tailored biological activity is still the major intellectual challenge in chemical biology and drug discovery. Herein we validate natural-product-derived fragments (NPDFs) as excellent molecular seeds for the targeted de novo discovery of lead structures for the modulation of therapeutically relevant proteins. The application of this de novo approach delivered, in synergy with the combination of allosteric and active site binding motifs, highly selective and ligand-efficient non-zinc-binding (3: 4-{[5-(2-{[(3-methoxyphenyl)methyl]carbamoyl}eth-1-yn-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]methyl}benzoic acid) as well as zinc-binding (4: 4-({5-[2-({[3-(3-carboxypropoxy)phenyl]methyl}carbamoyl)eth-1-yn-1-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzoic acid) uracil-based MMP-13 inhibitors presenting IC50 values of 11 nM (3: LE=0.35) and 6 nM (4: LE=0.31).de_CH
dc.language.isoende_CH
dc.publisherWileyde_CH
dc.relation.ispartofChemMedChemde_CH
dc.rightshttps://creativecommons.org/licenses/by-nc-nd/4.0/de_CH
dc.subjectMedicinal chemistryde_CH
dc.subjectDe novo drug designde_CH
dc.subject.ddc572: Biochemiede_CH
dc.subject.ddc615: Pharmakologie und Therapeutikde_CH
dc.titleMerging allosteric and active site binding motifs : de novo generation of target selectivity and potency via natural-product-derived fragmentsde_CH
dc.typeBeitrag in wissenschaftlicher Zeitschriftde_CH
dcterms.typeTextde_CH
zhaw.departementLife Sciences und Facility Managementde_CH
dc.identifier.doi10.1002/cmdc.201402478de_CH
dc.identifier.doi10.21256/zhaw-1687-
zhaw.funding.euNode_CH
zhaw.issue3de_CH
zhaw.originated.zhawYesde_CH
zhaw.pages.end454de_CH
zhaw.pages.start451de_CH
zhaw.publication.statuspublishedVersionde_CH
zhaw.volume10de_CH
zhaw.publication.reviewPeer review (Publikation)de_CH
zhaw.webfeedOrganische Chemiede_CH
zhaw.webfeedCC Drug Discoveryde_CH
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Lanz, J., & Riedl, R. (2015). Merging allosteric and active site binding motifs : de novo generation of target selectivity and potency via natural-product-derived fragments. ChemMedChem, 10(3), 451–454. https://doi.org/10.1002/cmdc.201402478
Lanz, J. and Riedl, R. (2015) ‘Merging allosteric and active site binding motifs : de novo generation of target selectivity and potency via natural-product-derived fragments’, ChemMedChem, 10(3), pp. 451–454. Available at: https://doi.org/10.1002/cmdc.201402478.
J. Lanz and R. Riedl, “Merging allosteric and active site binding motifs : de novo generation of target selectivity and potency via natural-product-derived fragments,” ChemMedChem, vol. 10, no. 3, pp. 451–454, 2015, doi: 10.1002/cmdc.201402478.
LANZ, Jan und Rainer RIEDL, 2015. Merging allosteric and active site binding motifs : de novo generation of target selectivity and potency via natural-product-derived fragments. ChemMedChem. 2015. Bd. 10, Nr. 3, S. 451–454. DOI 10.1002/cmdc.201402478
Lanz, Jan, and Rainer Riedl. 2015. “Merging Allosteric and Active Site Binding Motifs : De Novo Generation of Target Selectivity and Potency via Natural-Product-Derived Fragments.” ChemMedChem 10 (3): 451–54. https://doi.org/10.1002/cmdc.201402478.
Lanz, Jan, and Rainer Riedl. “Merging Allosteric and Active Site Binding Motifs : De Novo Generation of Target Selectivity and Potency via Natural-Product-Derived Fragments.” ChemMedChem, vol. 10, no. 3, 2015, pp. 451–54, https://doi.org/10.1002/cmdc.201402478.


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