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Using a Function-First "Scout Fragment"-Based Approach to Develop Allosteric Covalent Inhibitors of Conformationally Dynamic Helicase Mechanoenzymes.
Ramsey JR, Shelton PMM, Heiss TK, Olinares PDB, Vostal LE, Soileau H, Grasso M, Casebeer SW, Adaniya S, Miller M, Sun S, Huggins DJ, Myers RW, Chait BT, Vinogradova EV, Kapoor TM. Ramsey JR, et al. Among authors: myers rw. J Am Chem Soc. 2024 Jan 10;146(1):62-67. doi: 10.1021/jacs.3c10581. Epub 2023 Dec 22. J Am Chem Soc. 2024. PMID: 38134034
Deglycase-activity oriented screening to identify DJ-1 inhibitors.
Maksimovic I, Finkin-Groner E, Fukase Y, Zheng Q, Sun S, Michino M, Huggins DJ, Myers RW, David Y. Maksimovic I, et al. Among authors: myers rw. RSC Med Chem. 2021 Jun 2;12(7):1232-1238. doi: 10.1039/d1md00062d. eCollection 2021 Jul 21. RSC Med Chem. 2021. PMID: 34355187 Free PMC article.
Development of an improved inhibitor of Lats kinases to promote regeneration of mammalian organs.
Kastan NR, Oak S, Liang R, Baxt L, Myers RW, Ginn J, Liverton N, Huggins DJ, Pichardo J, Paul M, Carroll TS, Nagiel A, Gnedeva K, Hudspeth AJ. Kastan NR, et al. Among authors: myers rw. Proc Natl Acad Sci U S A. 2022 Jul 12;119(28):e2206113119. doi: 10.1073/pnas.2206113119. Epub 2022 Jul 8. Proc Natl Acad Sci U S A. 2022. PMID: 35867764 Free PMC article.
Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates.
Miller M, Rossetti T, Ferreira J, Ghanem L, Balbach M, Kaur N, Levin LR, Buck J, Kehr M, Coquille S, van den Heuvel J, Steegborn C, Fushimi M, Finkin-Groner E, Myers RW, Kargman S, Liverton NJ, Huggins DJ, Meinke PT. Miller M, et al. Among authors: myers rw. J Med Chem. 2022 Nov 24;65(22):15208-15226. doi: 10.1021/acs.jmedchem.2c01133. Epub 2022 Nov 8. J Med Chem. 2022. PMID: 36346696 Free PMC article.
Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
Sun S, Fushimi M, Rossetti T, Kaur N, Ferreira J, Miller M, Quast J, van den Heuvel J, Steegborn C, Levin LR, Buck J, Myers RW, Kargman S, Liverton N, Meinke PT, Huggins DJ. Sun S, et al. Among authors: myers rw. J Chem Inf Model. 2023 May 8;63(9):2828-2841. doi: 10.1021/acs.jcim.2c01577. Epub 2023 Apr 15. J Chem Inf Model. 2023. PMID: 37060320
Addition to "Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation".
Sun S, Fushimi M, Rossetti T, Kaur N, Ferreira J, Miller M, Quast J, van den Heuvel J, Steegborn C, Levin LR, Buck J, Myers RW, Kargman S, Liverton N, Meinke PT, Huggins DJ. Sun S, et al. Among authors: myers rw. J Chem Inf Model. 2024 Feb 12;64(3):1106. doi: 10.1021/acs.jcim.4c00068. Epub 2024 Jan 23. J Chem Inf Model. 2024. PMID: 38258980 No abstract available.
Synthesis of HDAC Inhibitor Libraries via Microscale Workflow.
Dykstra KD, Streckfuss E, Liu M, Liu J, Yu Y, Wang M, Kozlowski JA, Myers RW, Buevich AV, Maletic MM, Vachal P, Krska SW. Dykstra KD, et al. Among authors: myers rw. ACS Med Chem Lett. 2021 Feb 8;12(3):337-342. doi: 10.1021/acsmedchemlett.0c00596. eCollection 2021 Mar 11. ACS Med Chem Lett. 2021. PMID: 33738059 Free PMC article.
Using a function-first 'scout fragment'-based approach to develop allosteric covalent inhibitors of conformationally dynamic helicase mechanoenzymes.
Ramsey JR, Shelton PMM, Heiss TK, Olinares PDB, Vostal LE, Soileau H, Grasso M, Warrington S, Adaniya S, Miller M, Sun S, Huggins DJ, Myers RW, Chait BT, Vinogradova EV, Kapoor TM. Ramsey JR, et al. Among authors: myers rw. bioRxiv [Preprint]. 2023 Sep 26:2023.09.25.559391. doi: 10.1101/2023.09.25.559391. bioRxiv. 2023. PMID: 37808863 Free PMC article. Updated. Preprint.
88 results