| The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation DA Abdelrheem, SA Ahmed, HR Abd El-Mageed, HS Mohamed, ... Journal of Environmental Science and Health, Part A 55 (11), 1373-1386, 2020 | 53 | 2020 |
| Isolation, characterization, in vitro anticancer activity, dft calculations, molecular docking, bioactivity score, drug-likeness and admet studies of eight phytoconstituents … DA Abdelrheem, AA Rahman, KNM Elsayed, HR Abd El-Mageed, ... Journal of molecular structure 1225, 129245, 2021 | 49 | 2021 |
| Destabilizing the structural integrity of COVID-19 by caulerpin and its derivatives along with some antiviral drugs: an in silico approaches for a combination therapy SA Ahmed, DA Abdelrheem, HRA El-Mageed, HS Mohamed, AA Rahman, ... Structural Chemistry 31, 2391-2412, 2020 | 45 | 2020 |
| Boron nitride nanoclusters, nanoparticles and nanotubes as a drug carrier for isoniazid anti-tuberculosis drug, computational chemistry approaches HRA El-Mageed, FM Mustafa, MK Abdel-Latif Journal of Biomolecular Structure and Dynamics 40 (1), 226-235, 2022 | 33 | 2022 |
| Cytotoxic activity, molecular docking, pharmacokinetic properties and quantum mechanics calculations of the brown macroalga Cystoseira trinodis compounds SA Ahmed, AA Rahman, KNM Elsayed, HR Abd El-Mageed, ... Journal of Biomolecular Structure and Dynamics 39 (11), 3855-3873, 2021 | 28 | 2021 |
| Experimentally and theoretically approaches for disperse red 60 dye adsorption on novel quaternary nanocomposites NK Soliman, AF Moustafa, HRA El-Mageed, OF Abdel-Gawad, ET Elkady, ... Scientific Reports 11 (1), 10000, 2021 | 27 | 2021 |
| Activated carbon derived from sugarcane and modified with natural zeolite for efficient adsorption of methylene blue dye: Experimentally and theoretically approaches F Mohamed, M Shaban, SK Zaki, MS Abd-Elsamie, R Sayed, M Zayed, ... Scientific Reports 12 (1), 18031, 2022 | 25 | 2022 |
| Elucidating the adsorption and detection of amphetamine drug by pure and doped Al12N12, and Al12P12nano-cages, a DFT study HR Abd El-Mageed, MAA Ibrahim Journal of Molecular Liquids 326, 115297, 2021 | 23 | 2021 |
| Combination and tricombination therapy to destabilize the structural integrity of COVID-19 by some bioactive compounds with antiviral drugs: insights from molecular docking study HRA El-Mageed, DA Abdelrheem, SA Ahmed, AA Rahman, KNM Elsayed, ... Structural chemistry, 1-16, 2021 | 22 | 2021 |
| Bis-indole alkaloid caulerpin from a new source Sargassum platycarpum: isolation, characterization, in vitro anticancer activity, binding with nucleobases by DFT … DA Abdelrheem, HR Abd El-Mageed, HS Mohamed, AA Rahman, ... Journal of Biomolecular Structure and Dynamics 39 (14), 5137-5147, 2021 | 20 | 2021 |
| In silico evaluation of different flavonoids from medicinal plants for their potency against SARS-CoV-2 HRA El-Mageed, DA Abdelrheem, MO Rafi, MT Sarker, K Al-Khafaji, ... Biologics 1 (3), 416-434, 2021 | 19 | 2021 |
| Novel wastewater treatment by using newly prepared green seaweed–zeolite nanocomposite A Hamd, M Shaban, H AlMohamadi, AR Dryaz, SA Ahmed, KA Abu Al-Ola, ... ACS omega 7 (13), 11044-11056, 2022 | 17 | 2022 |
| Study the solvation effect on 6-phenyl-2-thioxo-1, 2-dihydropyridine-3-carbonitrile derivatives by TD-DFT calculations and molecular dynamics simulations MK Abdel-Latif, HR Abd El-Mageed, HS Mohamed, FM Mustafa Journal of Molecular Structure 1200, 127056, 2020 | 17 | 2020 |
| Exploring the intermolecular interaction of serine and threonine dipeptides with gold nanoclusters and nanoparticles of different shapes and sizes by quantum mechanics and … HR Abd El-Mageed, M Taha Journal of Molecular Liquids 296, 111903, 2019 | 17 | 2019 |
| Preparation and spectroscopic properties, density functional theory calculations and nonlinear optical properties of poly (acrylic acid-co-acrylamide)-graft-polyaniline HR Abd El-Mageed, HM Abd El-Salam, MK Abdel-Latif, FM Mustafa Journal of molecular structure 1173, 268-279, 2018 | 13 | 2018 |
| Calculations of Synthesized Triazolo Pyrimidine Derivatives: A Review HS Mohamed, ZS Hamza, AM Nagdy, HR Abd El-Mageed Journal of Chemical Reviews 4 (2), 2022 | 12 | 2022 |
| Unusual chalcogen⋯ chalcogen interactions in like⋯ like and unlike Y [double bond, length as m-dash] C [double bond, length as m-dash] Y⋯ Y [double bond, length as m-dash] C … MAA Ibrahim, MNI Shehata, MES Soliman, MF Moustafa, ... Physical Chemistry Chemical Physics 24 (5), 3386-3399, 2022 | 12 | 2022 |
| The ability of gold nanoclusters as a new nanocarrier for D-penicillamine anticancer drug: a computational chemistry study HRA El-Mageed, FM Mustafa, MK Abdel-Latif Structural Chemistry 31 (2), 781-793, 2020 | 12 | 2020 |
| Effect of External Electric Field on Tetrel Bonding Interactions in (FTF3···FH) Complexes (T = C, Si, Ge, and Sn) MAA Ibrahim, AAK Kamel, MES Soliman, MF Moustafa, HRA El-Mageed, ... ACS omega 6 (39), 25476-25485, 2021 | 11 | 2021 |
| On the Potentiality of X-T-X3 Compounds (T = C, Si, and Ge, and X = F, Cl, and Br) as Tetrel- and Halogen-Bond Donors MAA Ibrahim, NAM Moussa, MES Soliman, MF Moustafa, JH Al-Fahemi, ... ACS omega 6 (29), 19330-19341, 2021 | 11 | 2021 |
Hussein Shaban Hussein MohamedLecturer Of Chemistry, Research Institute of Medicinal and Aromatic Plants (RIMAP), Beni-SuefVerified email at rimp.bsu.edu.eg
