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On-demand male contraception via acute inhibition of soluble adenylyl cyclase.
Balbach M, Rossetti T, Ferreira J, Ghanem L, Ritagliati C, Myers RW, Huggins DJ, Steegborn C, Miranda IC, Meinke PT, Buck J, Levin LR. Balbach M, et al. Among authors: myers rw. Nat Commun. 2023 Feb 14;14(1):637. doi: 10.1038/s41467-023-36119-6. Nat Commun. 2023. PMID: 36788210 Free PMC article.
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.
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
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.
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
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.
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