Open Access
RSC Chemical Biology, volume 4, issue 6, pages 422-430
Predicting small molecule binding pockets on diacylglycerol kinases using chemoproteomics and AlphaFold
Roberto Mendez
1
,
Minhaj Shaikh
1
,
Michael C. Lemke
2
,
Kun Yuan
1
,
Adam H. Libby
1, 3
,
Dina L. Bai
1
,
Mark M Ross
1
,
Thurl E. Harris
2
,
Ku‐Lung Hsu
1, 2, 3, 4
1
Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904, USA
|
2
Department of Pharmacology, University of Virginia School of Medicine, Charlottesville, Virginia 22908, USA
|
3
University of Virginia Cancer Center, University of Virginia, Charlottesville, VA 22903, USA
|
4
Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, Virginia 22908, USA
|
Publication type: Journal Article
Publication date: 2023-05-15
Biochemistry
Molecular Biology
Chemistry (miscellaneous)
Biochemistry, Genetics and Molecular Biology (miscellaneous)
Abstract
Diacylglycerol kinases (DGKs) are metabolic kinases involved in regulating cellular levels of diacylglycerol and phosphatidic lipid messengers. The development of selective inhibitors for individual DGKs would benefit from discovery of...
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Mendez R. et al. Predicting small molecule binding pockets on diacylglycerol kinases using chemoproteomics and AlphaFold // RSC Chemical Biology. 2023. Vol. 4. No. 6. pp. 422-430.
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Mendez R., Shaikh M., Lemke M. C., Yuan K., Libby A. H., Bai D. L., Ross M. M., Harris T. E., Hsu K. Predicting small molecule binding pockets on diacylglycerol kinases using chemoproteomics and AlphaFold // RSC Chemical Biology. 2023. Vol. 4. No. 6. pp. 422-430.
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RIS
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TY - JOUR
DO - 10.1039/d3cb00057e
UR - https://doi.org/10.1039/d3cb00057e
TI - Predicting small molecule binding pockets on diacylglycerol kinases using chemoproteomics and AlphaFold
T2 - RSC Chemical Biology
AU - Mendez, Roberto
AU - Shaikh, Minhaj
AU - Lemke, Michael C.
AU - Yuan, Kun
AU - Libby, Adam H.
AU - Bai, Dina L.
AU - Ross, Mark M
AU - Harris, Thurl E.
AU - Hsu, Ku‐Lung
PY - 2023
DA - 2023/05/15
PB - Royal Society of Chemistry (RSC)
SP - 422-430
IS - 6
VL - 4
SN - 2633-0679
ER -
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BibTex
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@article{2023_Mendez,
author = {Roberto Mendez and Minhaj Shaikh and Michael C. Lemke and Kun Yuan and Adam H. Libby and Dina L. Bai and Mark M Ross and Thurl E. Harris and Ku‐Lung Hsu},
title = {Predicting small molecule binding pockets on diacylglycerol kinases using chemoproteomics and AlphaFold},
journal = {RSC Chemical Biology},
year = {2023},
volume = {4},
publisher = {Royal Society of Chemistry (RSC)},
month = {may},
url = {https://doi.org/10.1039/d3cb00057e},
number = {6},
pages = {422--430},
doi = {10.1039/d3cb00057e}
}
Cite this
MLA
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Mendez, Roberto, et al. “Predicting small molecule binding pockets on diacylglycerol kinases using chemoproteomics and AlphaFold.” RSC Chemical Biology, vol. 4, no. 6, May. 2023, pp. 422-430. https://doi.org/10.1039/d3cb00057e.