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Identification of novel allosteric sites of SARS-CoV-2 papain-like protease (PLpro) for the development of COVID-19 antivirals.

Autor: Ferreira JC; Science Division, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates., Villanueva AJ; Science Division, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates., Al Adem K; Science Division, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates., Fadl S; Science Division, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates., Alzyoud L; College of Pharmacy, Al Ain University, Abu Dhabi, United Arab Emirates; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi, United Arab Emirates., Ghattas MA; College of Pharmacy, Al Ain University, Abu Dhabi, United Arab Emirates; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi, United Arab Emirates., Rabeh WM; Science Division, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates. Electronic address: wael.rabeh@nyu.edu.

Publikováno v: The Journal of biological chemistry [J Biol Chem] 2024 Sep 27; Vol. 300 (11), pp. 107821. Date of Electronic Publication: 2024 Sep 27.

Boosting immunity: synergistic antiviral effects of luteolin, vitamin C, magnesium and zinc against SARS-CoV-2 3CLpro.

Autor: Ferreira JC; Science Division, New York University Abu Dhabi, PO Box 129188, Abu Dhabi, United Arab Emirates., Fadl S; Science Division, New York University Abu Dhabi, PO Box 129188, Abu Dhabi, United Arab Emirates., Cardoso THS; G42 Healthcare Omics Excellence Center, Masdar City, Abu Dhabi, United Arabes Emirates., Andrade BS; UESB - Universidade Estatudal Do Sudoeste da Bahia. Deparmento de Ciencias Biologicas., Melo TS; UESB - Universidade Estatudal Do Sudoeste da Bahia. Deparmento de Ciencias Biologicas., Silva EMA; Horticultural Sciences Department, University of Florida, Gainesville, FL 32611, U.S.A., Agarwal A; Kirby Institute, University of NSW, Sydney, NSW 2052. Australia., Turville SJ; Kirby Institute, University of NSW, Sydney, NSW 2052. Australia., Saksena NK; Victoria University, Footscray Park Campus, Melbourne, VIC, 3134, Australia.; Aegros Therapeutics Pty Ltd, 5-6 Eden Park Drive, Macquarie Park, NSW 2113, Australia., Rabeh WM; Science Division, New York University Abu Dhabi, PO Box 129188, Abu Dhabi, United Arab Emirates.

Publikováno v: Bioscience reports [Biosci Rep] 2024 Aug 28; Vol. 44 (8).

Discovery of pyrimidoindol and benzylpyrrolyl inhibitors targeting SARS-CoV-2 main protease (M ^pro ) through pharmacophore modelling, covalent docking, and biological evaluation.

Autor: Mahgoub RE; College of Pharmacy, Al Ain University, Abu Dhabi, 112612, United Arab Emirates; AAU Health and Biomedical Research Centre, Al Ain University, Abu Dhabi, 112612, United Arab Emirates., Mohamed FE; Department of Genetics and Genomics, College of Medicine and Health Sciences, United Arab Emirates University, Al Ain, 15551, United Arab Emirates., Ali BR; Department of Genetics and Genomics, College of Medicine and Health Sciences, United Arab Emirates University, Al Ain, 15551, United Arab Emirates; Zayed Centre for Health Sciences, United Arab Emirates University, Al-Ain, 15551, United Arab Emirates., Ferreira J; Science Division, New York University Abu Dhabi, Abu Dhabi, 129188, United Arab Emirates., Rabeh WM; Science Division, New York University Abu Dhabi, Abu Dhabi, 129188, United Arab Emirates., Atatreh N; College of Pharmacy, Al Ain University, Abu Dhabi, 112612, United Arab Emirates; AAU Health and Biomedical Research Centre, Al Ain University, Abu Dhabi, 112612, United Arab Emirates., Ghattas MA; College of Pharmacy, Al Ain University, Abu Dhabi, 112612, United Arab Emirates; AAU Health and Biomedical Research Centre, Al Ain University, Abu Dhabi, 112612, United Arab Emirates. Electronic address: mohammad.ghattas@aau.ac.ae.

Publikováno v: Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Mar; Vol. 127, pp. 108672. Date of Electronic Publication: 2023 Nov 15.

The Discovery of Novel Small Oxindole-Based Inhibitors Targeting the SARS-CoV-2 Main Protease (M ^pro ).

Autor: Alzyoud L; College of Pharmacy, Al Ain University, Abu, Dhabi, 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi, 64141, United Arab Emirates., Mahgoub RE; College of Pharmacy, Al Ain University, Abu, Dhabi, 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi, 64141, United Arab Emirates., Mohamed FE; Department of Genetics and Genomics, College of Medicine and Health Sciences, United Arab Emirates University, Al-Ain, 15551, United Arab Emirates., Ali BR; Department of Genetics and Genomics, College of Medicine and Health Sciences, United Arab Emirates University, Al-Ain, 15551, United Arab Emirates.; Zayed Centre for Health Sciences, United Arab Emirates University, Al-Ain, 15551, United Arab Emirates., Ferreira J; Science Division, New York University Abu Dhabi, Abu Dhabi, 129188, United Arab Emirates., Rabeh WM; Science Division, New York University Abu Dhabi, Abu Dhabi, 129188, United Arab Emirates., Atatreh N; College of Pharmacy, Al Ain University, Abu, Dhabi, 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi, 64141, United Arab Emirates., Ghattas MA; College of Pharmacy, Al Ain University, Abu, Dhabi, 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi, 64141, United Arab Emirates.

Publikováno v: Chemistry & biodiversity [Chem Biodivers] 2023 Nov; Vol. 20 (11), pp. e202301176. Date of Electronic Publication: 2023 Nov 09.