Browsing by Author "Abo Elmaaty, Ayman"
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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 ... -
Investigating the promising SARS-CoV-2 main protease inhibitory activity of secoiridoids isolated from Jasminum humile; in silico and in virto assessments with structure-activity relationship
Al-Karmalawy, Ahmed A.; Alnajjar, Radwan; Abo Elmaaty, Ayman; Binjubair, Faizah A.; Al-Rashood, ,Sara T.; Mansour, Basma S. r; Eldehna, Wagdy M.; Ahmed Mansou, Khaled (Faculty of Pharmacy, 2023-07-30) -
nvestigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics, and SAR studies
Farouk, Faten; Abo Elmaaty, Ayman; Elkamhawy, Ahmed; Haytham O., Tawfik; Alnajjar, Radwan; S. Abourehab, Mohammed A.; Saleh, Mohamed A.; Eldehna, Wagdy M.; Al‐Karmalawy, Ahmed A. (2023-02-02)Topoisomerase II (TOP-2) is a promising molecular target for cancer therapy. Numerous antibiotics could interact with biologically relevant macromolecules and provoke antitumor potential. Herein, molecular docking studies ...