Browsing Publications by Author "A. Al-Karmalawy, Ahmed"

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Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies

Abo Elmaaty, Ayman; M. Eldehna, Wagdy; Khattab, Muhammad; Kutkat, Omnia; Alnajjar, Radwan; N. El-Taweel, Ahmed; T. Al-Rashood, Sara; A. S. Abourehab, Mohammed; A. Binjubair, Faizah; A. Saleh, Mohamed; Belal, Amany; A. Al-Karmalawy, Ahmed (Faculty of Pharmacy, 2021-11-01)

Abstract: In this article, 34 anticoagulant drugs were screened in silico against the main protease (Mpro) of SARS-CoV-2 using molecular docking tools. Idraparinux, fondaparinux, eptifibatide, heparin, and ticagrelor ...