An Update on Protein Kinases as Therapeutic Targets—Part II: Peptides as Allosteric Protein Kinase C Modulators Targeting Protein–Protein Interactions.

Autor: Zerihun, Mulate¹ (AUTHOR) mulate.zerihun@biu.ac.il, Rubin, Samuel J. S.² (AUTHOR) yrubin@stanford.edu, Silnitsky, Shmuel¹ (AUTHOR) shmuel.silnitsky@biu.ac.il, Qvit, Nir¹ (AUTHOR) nir.qvit@biu.ac.il

Publikováno v: International Journal of Molecular Sciences. Dec2023, Vol. 24 Issue 24, p17504. 26p.

Probing Functional Allosteric States and Conformational Ensembles of the Allosteric Protein Kinase States and Mutants: Atomistic Modeling and Comparative Analysis of AlphaFold2, OmegaFold, and AlphaFlow Approaches and Adaptations.

Autor: Raisinghani N; Keck Center for Science and Engineering, Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, California 92866, United States., Alshahrani M; Keck Center for Science and Engineering, Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, California 92866, United States., Gupta G; Keck Center for Science and Engineering, Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, California 92866, United States., Tian H; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas 75275, United States., Xiao S; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas 75275, United States., Tao P; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas 75275, United States., Verkhivker G; Keck Center for Science and Engineering, Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, California 92866, United States.; Department of Biomedical and Pharmaceutical Sciences, Chapman University School of Pharmacy, Irvine, California 92618, United States.; Department of Pharmacology, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2024 Nov 14; Vol. 128 (45), pp. 11088-11107. Date of Electronic Publication: 2024 Nov 01.

Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory

Autor: Anthony J. Davolio, Wojciech J. Jankowski, Csilla Várnai, Benedict W. J. Irwin, Michael C. Payne, Pak-Lee Chau

Publikováno v: ACS Omega, Vol 8, Iss 47, Pp 44537-44544 (2023)

Externí odkaz: https://doaj.org/article/ec419cdc5a6b4577819492bb98206df9

Systematic Analysis of Covalent and Allosteric Protein Kinase Inhibitors.

Autor: Xerxa, Elena¹ (AUTHOR), Laufkötter, Oliver¹ (AUTHOR), Bajorath, Jürgen¹ (AUTHOR) bajorath@bit.uni-bonn.de

Publikováno v: Molecules. Aug2023, Vol. 28 Issue 15, p5805. 13p.

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