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Structure-Based Lead Optimization of Enterovirus D68 2A Protease Inhibitors.
Tan B, Liu C, Li K, Jadhav P, Lambrinidis G, Zhu L, Olson L, Tan H, Wen Y, Kolocouris A, Liu W, Wang J. Tan B, et al. Among authors: kolocouris a. J Med Chem. 2023 Nov 9;66(21):14544-14563. doi: 10.1021/acs.jmedchem.3c00995. Epub 2023 Oct 19. J Med Chem. 2023. PMID: 37857371 Free PMC article.
Affinity of Rimantadine Enantiomers against Influenza A/M2 Protein Revisited.
Drakopoulos A, Tzitzoglaki C, Ma C, Freudenberger K, Hoffmann A, Hu Y, Gauglitz G, Schmidtke M, Wang J, Kolocouris A. Drakopoulos A, et al. Among authors: kolocouris a. ACS Med Chem Lett. 2017 Jan 27;8(2):145-150. doi: 10.1021/acsmedchemlett.6b00311. eCollection 2017 Feb 9. ACS Med Chem Lett. 2017. PMID: 28217261 Free PMC article.
Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode.
Lagarias P, Vrontaki E, Lambrinidis G, Stamatis D, Convertino M, Ortore G, Mavromoustakos T, Klotz KN, Kolocouris A. Lagarias P, et al. Among authors: kolocouris a. J Chem Inf Model. 2018 Apr 23;58(4):794-815. doi: 10.1021/acs.jcim.7b00455. Epub 2018 Mar 19. J Chem Inf Model. 2018. PMID: 29485875
Unraveling the Binding, Proton Blockage, and Inhibition of Influenza M2 WT and S31N by Rimantadine Variants.
Drakopoulos A, Tzitzoglaki C, McGuire K, Hoffmann A, Konstantinidi A, Kolokouris D, Ma C, Freudenberger K, Hutterer J, Gauglitz G, Wang J, Schmidtke M, Busath DD, Kolocouris A. Drakopoulos A, et al. Among authors: kolocouris a. ACS Med Chem Lett. 2018 Jan 29;9(3):198-203. doi: 10.1021/acsmedchemlett.7b00458. eCollection 2018 Mar 8. ACS Med Chem Lett. 2018. PMID: 29541360 Free PMC article.
X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Thomaston JL, Konstantinidi A, Liu L, Lambrinidis G, Tan J, Caffrey M, Wang J, Degrado WF, Kolocouris A. Thomaston JL, et al. Among authors: kolocouris a. Biochemistry. 2020 Feb 4;59(4):627-634. doi: 10.1021/acs.biochem.9b00971. Epub 2020 Jan 13. Biochemistry. 2020. PMID: 31894969 Free PMC article.
Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against Mpro and cathepsin L.
Sacco MD, Ma C, Lagarias P, Gao A, Townsend JA, Meng X, Dube P, Zhang X, Hu Y, Kitamura N, Hurst B, Tarbet B, Marty MT, Kolocouris A, Xiang Y, Chen Y, Wang J. Sacco MD, et al. Among authors: kolocouris a. bioRxiv [Preprint]. 2020 Jul 27:2020.07.27.223727. doi: 10.1101/2020.07.27.223727. bioRxiv. 2020. Update in: Sci Adv. 2020 Dec 9;6(50):eabe0751. doi: 10.1126/sciadv.abe0751 PMID: 32766590 Free PMC article. Updated. Preprint.
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