Israa Lewaa

QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches

Rahul D. Jawarkar, Ravindra L. Bakal, Magdi E. A. Zaki et al. · Arabian Journal of Chemistry · 2021 · 48 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +13

Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis

Magdi E. A. Zaki, Sami A. Al‐Hussain, Vijay H. Masand et al. · Pharmaceuticals · 2021 · 44 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches

Ravindra L. Bakal, Rahul D. Jawarkar, Jagdish V. Manwar et al. · Saudi Pharmaceutical Journal · 2022 · 28 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

QSAR and Pharmacophore Modeling of Nitrogen Heterocycles as Potent Human N-Myristoyltransferase (Hs-NMT) Inhibitors

Magdi E. A. Zaki, Sami A. Al‐Hussain, Vijay H. Masand et al. · Molecules · 2021 · 16 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Identification of concealed structural alerts using QSTR modeling for Pseudokirchneriella subcapitata

Vijay H. Masand, Magdi E. A. Zaki, Sami A. Al‐Hussain et al. · Aquatic Toxicology · 2021 · 14 citations

Life Sciences, Molecular Biology, Structural Biology +1