Please use this identifier to cite or link to this item: doi:10.22028/D291-30940
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Title: Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis
Author(s): Unver, M. Yagiz
Gierse, Robin M.
Ritchie, Harry
Hirsch, Anna
Language: English
Title: Journal of medicinal chemistry
Volume: 61
Issue: 21
Startpage: 9395
Endpage: 9409
Publisher/Platform: ACS
Year of Publication: 2018
Publikation type: Journal Article
Abstract: Kinetic target-guided synthesis (KTGS) is a powerful strategy in which the biological target selects its own inhibitors by assembling them from biocompatible reagents via an irreversible process. In this approach, the biological target accelerates the reaction between complementary building blocks by bringing them in close proximity and proper orientation. KTGS has found application on various targets. Herein, we performed a druggability assessment for each target family reported in KTGS, calculated the pocket properties, and used them to extract possible discriminating factors for successful KTGS studies. A trend for less enclosed pockets emerged, but overall we conclude that the KTGS approach is universal and could be used without restrictions regarding the physicochemical properties of the addressed pocket.
DOI of the first publication: 10.1021/acs.jmedchem.8b00266
URL of the first publication:
Link to this record: hdl:20.500.11880/29153
ISSN: 1520-4804
Date of registration: 14-May-2020
Faculty: NT - Naturwissenschaftlich- Technische Fakultät
Department: NT - Pharmazie
Professorship: NT - Prof. Dr. Anna Hirsch
Collections:SciDok - Der Wissenschaftsserver der Universität des Saarlandes

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