Publication

Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis

Unver, M. Y., Gierse, R. M., Ritchie, H. & Hirsch, A. K. H., 8-Nov-2018, In : Journal of Medicinal Chemistry. 61, 21, p. 9395-9409 15 p.

Research output: Contribution to journalArticleAcademicpeer-review

APA

Unver, M. Y., Gierse, R. M., Ritchie, H., & Hirsch, A. K. H. (2018). Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis. Journal of Medicinal Chemistry, 61(21), 9395-9409. https://doi.org/10.1021/acs.jmedchem.8b00266

Author

Unver, M. Yagiz ; Gierse, Robin M. ; Ritchie, Harry ; Hirsch, Anna K. H. / Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis. In: Journal of Medicinal Chemistry. 2018 ; Vol. 61, No. 21. pp. 9395-9409.

Harvard

Unver, MY, Gierse, RM, Ritchie, H & Hirsch, AKH 2018, 'Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis', Journal of Medicinal Chemistry, vol. 61, no. 21, pp. 9395-9409. https://doi.org/10.1021/acs.jmedchem.8b00266

Standard

Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis. / Unver, M. Yagiz; Gierse, Robin M.; Ritchie, Harry; Hirsch, Anna K. H.

In: Journal of Medicinal Chemistry, Vol. 61, No. 21, 08.11.2018, p. 9395-9409.

Research output: Contribution to journalArticleAcademicpeer-review

Vancouver

Unver MY, Gierse RM, Ritchie H, Hirsch AKH. Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis. Journal of Medicinal Chemistry. 2018 Nov 8;61(21):9395-9409. https://doi.org/10.1021/acs.jmedchem.8b00266


BibTeX

@article{cc71e23f89a044a49b1a145649be97ad,
title = "Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis",
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.",
keywords = "SITU CLICK CHEMISTRY, DYNAMIC COMBINATORIAL CHEMISTRY, IN-SITU, DRUG DISCOVERY, MOLECULAR RECOGNITION, HIV-1 PROTEASE, BINDING-SITE, INHIBITORS, ENZYME, ACETYLCHOLINESTERASE",
author = "Unver, {M. Yagiz} and Gierse, {Robin M.} and Harry Ritchie and Hirsch, {Anna K. H.}",
year = "2018",
month = "11",
day = "8",
doi = "10.1021/acs.jmedchem.8b00266",
language = "English",
volume = "61",
pages = "9395--9409",
journal = "Journal of Medicinal Chemistry",
issn = "0022-2623",
publisher = "AMER CHEMICAL SOC",
number = "21",

}

RIS

TY - JOUR

T1 - Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis

AU - Unver, M. Yagiz

AU - Gierse, Robin M.

AU - Ritchie, Harry

AU - Hirsch, Anna K. H.

PY - 2018/11/8

Y1 - 2018/11/8

N2 - 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.

AB - 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.

KW - SITU CLICK CHEMISTRY

KW - DYNAMIC COMBINATORIAL CHEMISTRY

KW - IN-SITU

KW - DRUG DISCOVERY

KW - MOLECULAR RECOGNITION

KW - HIV-1 PROTEASE

KW - BINDING-SITE

KW - INHIBITORS

KW - ENZYME

KW - ACETYLCHOLINESTERASE

U2 - 10.1021/acs.jmedchem.8b00266

DO - 10.1021/acs.jmedchem.8b00266

M3 - Article

VL - 61

SP - 9395

EP - 9409

JO - Journal of Medicinal Chemistry

JF - Journal of Medicinal Chemistry

SN - 0022-2623

IS - 21

ER -

ID: 76822473