| Revisiting activity of some nocodazole analogues as a potential anticancer drugs using molecular docking and DFT calculations M Khattab, AA Al‐Karmalawy Frontiers in Chemistry 9, 628398, 2021 | 73 | 2021 |
| Computational insights on the potential of some NSAIDs for treating COVID-19: priority set and lead optimization A Abo Elmaaty, MIA Hamed, MI Ismail, E B. Elkaeed, H S. Abulkhair, ... Molecules 26 (12), 3772, 2021 | 67 | 2021 |
| Molecular modelling of mebendazole polymorphs as a potential colchicine binding site inhibitor AA Al-Karmalawy, M Khattab New Journal of Chemistry 44 (33), 13990-13996, 2020 | 65 | 2020 |
| Revisiting activity of some glucocorticoids as a potential inhibitor of SARS-CoV-2 main protease: theoretical study AA Elmaaty, R Alnajjar, MIA Hamed, M Khattab, MM Khalifa, ... RSC advances 11 (17), 10027-10042, 2021 | 64 | 2021 |
| In a search for potential drug candidates for combating COVID-19: computational study revealed salvianolic acid B as a potential therapeutic targeting 3CLpro and spike proteins AA Elmaaty, KM Darwish, M Khattab, SS Elhady, M Salah, MIA Hamed, ... Journal of Biomolecular Structure and Dynamics 40 (19), 8866-8893, 2022 | 63 | 2022 |
| Computational repurposing of benzimidazole anthelmintic drugs as potential colchicine binding site inhibitors M Khattab, AA Al-Karmalawy Future Medicinal Chemistry 13 (19), 1623-1638, 2021 | 60 | 2021 |
| Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential … MM Hammoud, M Khattab, M Abdel-Motaal, J Van der Eycken, R Alnajjar, ... Journal of Biomolecular Structure and Dynamics 41 (11), 5199-5216, 2023 | 39 | 2023 |
| Part III: Novel checkpoint kinase 2 (Chk2) inhibitors; design, synthesis and biological evaluation of pyrimidine-benzimidazole conjugates SA Galal, M Khattab, SA Shouman, R Ramadan, OM Kandil, OM Kandil, ... European Journal of Medicinal Chemistry 146, 687-708, 2018 | 21 | 2018 |
| Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies A Abo Elmaaty, WM Eldehna, M Khattab, O Kutkat, R Alnajjar, ... International Journal of Molecular Sciences 23 (20), 12235, 2022 | 19 | 2022 |
| Two conformers of a tyrosine kinase inhibitor (AG-1478) disclosed using simulated UV-Vis absorption spectroscopy M Khattab, S Chatterjee, AHA Clayton, F Wang New Journal of Chemistry 40 (10), 8296-8304, 2016 | 19 | 2016 |
| UV–Vis spectroscopy and solvatochromism of the tyrosine kinase inhibitor AG-1478 M Khattab, F Wang, AHA Clayton Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 164, 128-132, 2016 | 17 | 2016 |
| Different synthetic routes to 4-(1H-benzo[d]imidazol-2-yl)aniline M Khattab, SA Galal, FAF Ragab, HI El Diwani Research on Chemical Intermediates 39, 2917-2923, 2013 | 16 | 2013 |
| Diabetes mellitus: Classification, mediators, and complications; A gate to identify potential targets for the development of new effective treatments SA Antar, NA Ashour, M Sharaky, M Khattab, NA Ashour, RT Zaid, EJ Roh, ... Biomedicine & Pharmacotherapy 168, 115734, 2023 | 12 | 2023 |
| Synthesis of 4-(1H-benzo [d] imidazol-2-yl) aniline derivatives of expected anti-HCV activity MK Khattab, FAF Ragab, SA Galal, HI El Diwani International journal of research in pharmacy and chemistry 2 (4), 937-946, 2012 | 11 | 2012 |
| Synthesis of (benzimidazol-2-yl) aniline derivatives as glycogen phosphorylase inhibitors SA Galal, M Khattab, F Andreadaki, ED Chrysina, JP Praly, FAF Ragab, ... Bioorganic & Medicinal Chemistry 24 (21), 5423-5430, 2016 | 9 | 2016 |
| Theoretical study of the geometric and electronic characterization of carbendazim-based drug (Nocodazole) M Khattab Heliyon 6 (6), 2020 | 8 | 2020 |
| A pH-induced conformational switch in a tyrosine kinase inhibitor identified by electronic spectroscopy and quantum chemical calculations M Khattab, F Wang, AHA Clayton Scientific Reports 7 (1), 16271, 2017 | 7 | 2017 |
| Conformational Plasticity in Tyrosine Kinase Inhibitor–Kinase Interactions Revealed with Fluorescence Spectroscopy and Theoretical Calculations M Khattab, F Wang, AHA Clayton The Journal of Physical Chemistry B 122 (17), 4667-4679, 2018 | 6 | 2018 |
| Micro-solvation of tyrosine-kinase inhibitor AG1478 explored with fluorescence spectroscopy and computational chemistry M Khattab, F Wang, AHA Clayton RSC advances 7 (50), 31725-31735, 2017 | 6 | 2017 |
| Solvatochromism and linear solvation energy relationship of the kinase inhibitor SKF86002 M Khattab, M Van Dongen, F Wang, AHA Clayton Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 170, 226-233, 2017 | 5 | 2017 |
