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Computational and Enzymatic Studies of Sartans in SARS-CoV-2 Spike RBD-ACE2 Binding: The Role of Tetrazole and Perspectives as Antihypertensive and COVID-19 Therapeutics.
Kelaidonis K, Ligielli I, Letsios S, Vidali VP, Mavromoustakos T, Vassilaki N, Moore GJ, Hoffmann W, Węgrzyn K, Ridgway H, Chasapis CT, Matsoukas JM. Kelaidonis K, et al. Among authors: moore gj. Int J Mol Sci. 2023 May 8;24(9):8454. doi: 10.3390/ijms24098454. Int J Mol Sci. 2023. PMID: 37176159 Free PMC article.
W254 in furin functions as a molecular gate promoting anti-viral drug binding: Elucidation of putative drug tunneling and docking by non-equilibrium molecular dynamics.
Ridgway H, Orbell JD, Matsoukas MT, Kelaidonis K, Moore GJ, Tsiodras S, Gorgoulis VG, Chasapis CT, Apostolopoulos V, Matsoukas JM. Ridgway H, et al. Among authors: moore gj. Comput Struct Biotechnol J. 2023 Sep 9;21:4589-4612. doi: 10.1016/j.csbj.2023.09.003. eCollection 2023. Comput Struct Biotechnol J. 2023. PMID: 37817778 Free PMC article.
Novel benzimidazole angiotensin receptor blockers with anti-SARS-CoV-2 activity equipotent to that of nirmatrelvir: computational and enzymatic studies.
Ridgway H, Moore GJ, Gadanec LK, Zulli A, Apostolopoulos V, Hoffmann W, Węgrzyn K, Vassilaki N, Mpekoulis G, Zouridakis M, Giastas P, Vidali VP, Kelaidonis K, Matsoukas MT, Dimitriou M, Mavromoustakos T, Tsiodras S, Gorgoulis VG, Karakasiliotis I, Chasapis CT, Matsoukas JM. Ridgway H, et al. Among authors: moore gj. Expert Opin Ther Targets. 2024 May;28(5):437-459. doi: 10.1080/14728222.2024.2362675. Epub 2024 Jun 7. Expert Opin Ther Targets. 2024. PMID: 38828744
Structural Features Influencing the Bioactive Conformation of Angiotensin II and Angiotensin A: Relationship between Receptor Desensitization, Addiction, and the Blood-Brain Barrier.
Moore GJ, Ridway H, Gadanec LK, Apostolopoulos V, Zulli A, Swiderski J, Kelaidonis K, Vidali VP, Matsoukas MT, Chasapis CT, Matsoukas JM. Moore GJ, et al. Int J Mol Sci. 2024 May 26;25(11):5779. doi: 10.3390/ijms25115779. Int J Mol Sci. 2024. PMID: 38891966 Free PMC article. Review.
Density functional theory and enzyme studies support interactions between angiotensin receptor blockers and angiotensin converting enzyme-2: Relevance to coronavirus 2019.
Apostolopoulos V, Georgiou N, Tzeli D, Mavromoustakos T, Moore GJ, Kelaidonis K, Matsoukas MT, Tsiodras S, Swiderski J, Kate Gadanec L, Zulli A, Chasapis CT, Matsoukas JM. Apostolopoulos V, et al. Among authors: moore gj. Bioorg Chem. 2024 Sep;150:107602. doi: 10.1016/j.bioorg.2024.107602. Epub 2024 Jun 28. Bioorg Chem. 2024. PMID: 38959647 Free article.
235 results