Aly Abdou

Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications

Ahmed M. Abu‐Dief, Nouf H. Alotaibi, Eida S. Al‐Farraj et al. · Journal of Molecular Liquids · 2022 · 92 citations

Vibrational Calculation, Engineering, Biochemistry +12

Comparison of the binding energies of approved mpox drugs and phytochemicals through molecular docking, molecular dynamics simulation, and ADMET studies: An in silico approach

Ranjan K. Mohapatra, Ahmed Mahal, Azaj Ansari et al. · Journal of Biosafety and Biosecurity · 2023 · 90 citations · Full text

Chemical Analysis, Computational Chemistry, Chemistry +18

Design and synthesis of three Fe(III) mixed-ligand complexes: Exploration of their biological and phenoxazinone synthase-like activities

Mohamed Ismael, A. M. Abdel‐Mawgoud, Mostafa K. Rabia et al. · Inorganica Chimica Acta · 2020 · 89 citations

Inorganic Chemistry, Biochemistry, Natural Sciences +7

Fabrication, structural elucidation of some new metal chelates based on N-(1H-Benzoimidazol-2-yl)-guanidine ligand: DNA interaction, pharmaceutical studies and molecular docking approach

Ahmed M. Abu‐Dief, Rafat M. El‐Khatib, Tarek El‐Dabea et al. · Journal of Molecular Liquids · 2023 · 86 citations

Medicinal Chemistry, Biochemistry, New Metal Chelates +9

Fe(III), Ni(II), and Cu(II)-moxifloxacin-tri-substituted imidazole mixed ligand complexes: Synthesis, structural, DFT, biological, and protein-binding analysis

Hany M. Abd El‐Lateef, Mai M. Khalaf, F. El‐Taib Heakal et al. · Inorganic Chemistry Communications · 2023 · 83 citations

Inorganic Chemistry, Biochemistry, Natural Sciences +7