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A Study of the Activity of Adamantyl Amines against Mutant Influenza A M2 Channels Identified a Polycyclic Cage Amine Triple Blocker, Explored by Molecular Dynamics Simulations and Solid-State NMR.
Stampolaki Μ, Hoffmann A, Tekwani K, Georgiou K, Tzitzoglaki C, Ma C, Becker S, Schmerer P, Döring K, Stylianakis I, Turcu AL, Wang J, Vázquez S, Andreas LB, Schmidtke M, Kolocouris A. Stampolaki Μ, et al. Among authors: kolocouris a. ChemMedChem. 2023 Aug 15;18(16):e202300182. doi: 10.1002/cmdc.202300182. Epub 2023 Jul 25. ChemMedChem. 2023. PMID: 37377066
Correction to Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis.
Lagarias P, Barkan K, Tzortzini E, Stampelou M, Vrontaki E, Ladds G, Kolocouris A. Lagarias P, et al. Among authors: kolocouris a. J Chem Inf Model. 2020 Apr 27;60(4):2405-2406. doi: 10.1021/acs.jcim.0c00240. Epub 2020 Mar 25. J Chem Inf Model. 2020. PMID: 32208618 No abstract available.
Ebselen, disulfiram, carmofur, PX-12, tideglusib, and shikonin are non-specific promiscuous SARS-CoV-2 main protease inhibitors.
Ma C, Hu Y, Townsend JA, Lagarias PI, Marty MT, Kolocouris A, Wang J. Ma C, et al. Among authors: kolocouris a. bioRxiv [Preprint]. 2020 Sep 16:2020.09.15.299164. doi: 10.1101/2020.09.15.299164. bioRxiv. 2020. Update in: ACS Pharmacol Transl Sci. 2020 Oct 09;3(6):1265-1277. doi: 10.1021/acsptsci.0c00130 PMID: 32995786 Free PMC article. Updated. Preprint.
Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Ma C, Sacco MD, Xia Z, Lambrinidis G, Townsend JA, Hu Y, Meng X, Szeto T, Ba M, Zhang X, Gongora M, Zhang F, Marty MT, Xiang Y, Kolocouris A, Chen Y, Wang J. Ma C, et al. Among authors: kolocouris a. ACS Cent Sci. 2021 Jul 28;7(7):1245-1260. doi: 10.1021/acscentsci.1c00519. Epub 2021 Jun 18. ACS Cent Sci. 2021. PMID: 34341772 Free PMC article.
88 results