Browsing Publications by Author "Mahgoub, Radwa E."
Now showing items 1-2 of 2
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The Discovery of Small Allosteric and Active Site Inhibitors of the SARS-CoV-2 Main Protease via Structure-Based Virtual Screening and Biological Evaluation
Mahgoub, Radwa E.; Mohamed, Feda E.; Alzyoud, Lara; Ali, Bassam R.; Ferreira, Juliana; Rabeh, Wael M.; AlNeyadi, Shaikha S.; Atatreh, Noor; Ghattas, Mohammad A. (MDPI, 2022)The main protease enzyme (Mpro) of SARS-CoV-2 is one of the most promising targets for COVID-19 treatment. Accordingly, in this work, a structure-based virtual screening of 3.8 million ligand libraries was carried out. ... -
Molecular Modelling Study and Antibacterial Evaluation of Diphenylmethane Derivatives as Potential FabI Inhibitors
Hasan, Shaima; Kayed, Kawthar; Ghemrawi, Rose; Bataineh, Nezar Al; Mahgoub, Radwa E.; Audeh, Rola; Aldulaymi, Raghad; Atatreh, Noor; Ghattas, Mohammad A. (MDPI, 2023)The need for new antibiotics has become a major worldwide challenge as bacterial strains keep developing resistance to the existing drugs at an alarming rate. Enoyl-acyl carrier protein reductases (FabI) play a crucial ...