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2023W254 in furin functions as a molecular gate promoting anti-viral drug binding: Elucidation of putative drug tunneling and docking by non-equilibrium molecular dynamicsRidgway, Harry; Orbell, John D; Matsoukas, Minos-Timotheos; Kelaidonis, Konstantinos; Moore, Graham J; Tsiodras, Sotiris; Gorgoulis, Vasilis G; Chasapis, Christos T.; Apostolopoulos, Vasso; Matsoukas, John M
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2023Computational and Enzymatic Studies of Sartans in SARS-CoV-2 Spike RBD-ACE2 Binding: The Role of Tetrazole and Perspectives as Antihypertensive and COVID-19 TherapeuticsKelaidonis, Konstantinos; Ligielli, Irene; Letsios, Spiros; Vidali, Veroniki P; Mavromoustakos, Thomas; Vassilaki, Niki; Moore, Graham J; Hoffmann, Weronika; Węgrzyn, Katarzyna; Ridgway, Harry; Chasapis, Christos T.; Matsoukas, John M
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2023Network-Based Prediction of Side Effects of Repurposed Antihypertensive Sartans against COVID-19 via Proteome and Drug-Target InteractomesKiouri, Despoina P; Ntallis, Charalampos; Kelaidonis, Konstantinos; Peana, Massimiliano; Tsiodras, Sotirios; Mavromoustakos, Thomas; Giuliani, Alessandro; Ridgway, Harry; Moore, Graham J; Matsoukas, John M; Chasapis, Christos T.
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2024Novel benzimidazole angiotensin receptor blockers with anti-SARS-CoV-2 activity equipotent to that of nirmatrelvir: computational and enzymatic studiesRidgway, Harry; Moore, Graham J; Gadanec, Laura Kate; Zulli, Anthony; Apostolopoulos, Vasso; Hoffmann, Weronika; Węgrzyn, Katarzyna; Vassilaki, Niki; Mpekoulis, George; Zouridakis, Marios; Giastas, Petros; Vidali, Veroniki P; Kelaidonis, Konstantinos; Matsoukas, Minos-Timotheos; Dimitriou, Marios; Mavromoustakos, Thomas; Tsiodras, Sotirios; Gorgoulis, Vassilis G; Karakasiliotis, Ioannis; Chasapis, Christos T. ; Matsoukas, John M
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2024Density functional theory and enzyme studies support interactions between angiotensin receptor blockers and angiotensin converting enzyme-2: Relevance to coronavirus 2019Apostolopoulos, Vasso; Georgiou, Nikitas; Tzeli, Demeter; Mavromoustakos, Thomas; Moore, Graham J; Kelaidonis, Konstantinos; Matsoukas, Minos-Timotheos; Tsiodras, Sotirios; Swiderski, Jordan; Kate Gadanec, Laura; Zulli, Anthony; Chasapis, Christos; Matsoukas, John M
Open access