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Radwan Alnajjar
Radwan Alnajjar
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα uob.edu.ly - Αρχική σελίδα
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Anti-SARS-CoV-2 activities of tanshinone IIA, carnosic acid, rosmarinic acid, salvianolic acid, baicalein, and glycyrrhetinic acid between computational and in vitro insights
D Elebeedy, WF Elkhatib, A Kandeil, A Ghanem, O Kutkat, R Alnajjar, ...
RSC advances 11 (47), 29267-29286, 2021
1142021
Molecular docking, molecular dynamics, and in vitro studies reveal the potential of angiotensin II receptor blockers to inhibit the COVID-19 main protease
R Alnajjar, A Mostafa, A Kandeil, AA Al-Karmalawy
Heliyon 6 (12), 2020
1092020
Adsorption properties of the molecule resveratrol on CNT (8, 0-10) nanotube: Geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state), FMO, MEP …
M Sheikhi, S Shahab, M Khaleghian, FH Hajikolaee, I Balakhanava, ...
Journal of Molecular Structure 1160, 479-487, 2018
802018
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
662021
Molecular docking and dynamics simulations reveal the potential of anti-HCV drugs to inhibit COVID-19 main protease
AA Al-Karmalawy, R Alnajjar, M Dahab, A Metwaly, I Eissa
Pharmaceutical Sciences 27 (Covid-19), S109-S121, 2021
622021
In vitro and computational insights revealing the potential inhibitory effect of Tanshinone IIA against influenza A virus
D Elebeedy, I Badawy, AA Elmaaty, MM Saleh, A Kandeil, A Ghanem, ...
Computers in biology and medicine 141, 105149, 2022
612022
Newly synthesized series of oxoindole–oxadiazole conjugates as potential anti-SARS-CoV-2 agents: In silico and in vitro studies
RM El-Masry, AA Al-Karmalawy, R Alnajjar, SH Mahmoud, A Mostafa, ...
New Journal of Chemistry 46 (11), 5078-5090, 2022
582022
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
512023
Design, synthesis, and biological evaluation of thienopyrimidine derivatives as multifunctional agents against Alzheimer's disease
KI Eissa, MM Kamel, LW Mohamed, AS Doghish, R Alnajjar, ...
Drug Development Research 84 (5), 937-961, 2023
482023
Design and synthesis of novel benzoazoninone derivatives as potential CBSIs and apoptotic inducers: in vitro, in vivo, molecular docking, molecular dynamics, and SAR studies
MM Hammouda, AA Elmaaty, MS Nafie, M Abdel-Motaal, NS Mohamed, ...
Bioorganic Chemistry 127, 105995, 2022
412022
Adsorption properties of the new anti-cancer drug alectinib on CNT (6, 6-6) nanotube: geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state …
M Sheikhi, S Shahab, R Alnajjar, M Ahmadianarog
Journal of Cluster Science 30, 83-96, 2019
412019
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
352022
Bicyclo [1.1. 1] Pentane as phenyl substituent in atorvastatin drug to improve physicochemical properties: drug-likeness, DFT, pharmacokinetics, docking, and molecular dynamic …
R Alnajjar, N Mohamed, N Kawafi
Journal of Molecular Structure 1230, 129628, 2021
312021
Anisotropy (optical, electrical and thermal conductivity) in thin polarizing films for UV/Vis regions of spectrum: Experimental and theoretical investigations
H Yahyaei, S Shahab, M Sheikhi, L Filippovich, HA Almodarresiyeh, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 192, 343-360, 2018
242018
Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics …
F Farouk, AA Elmaaty, A Elkamhawy, HO Tawfik, R Alnajjar, ...
Journal of Enzyme Inhibition and Medicinal Chemistry 38 (1), 2171029, 2023
212023
Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two Albizia spp., Molecular Docking and Dynamic Studies
ME Hussein, OG Mohamed, AM El-Fishawy, HI El-Askary, AA Hamed, ...
Plants 11 (23), 3286, 2022
212022
DFT investigation of atazanavir as potential inhibitor for 2019-nCoV coronavirus M protease
S Shahab, M Sheikhi, R Alnajjar, S Al Saud, M Khancheuski, A Strogova
Journal of molecular structure 1228, 129461, 2021
212021
Investigation of adsorption tyrphostin AG528 anticancer drug upon the CNT (6, 6-6) nanotube: a DFT study
M Sheikhi, S Shahab, R Alnajjar, M Ahmadianarog, S Kaviani
Current Molecular Medicine 19 (2), 91-104, 2019
192019
Lead optimization of BIBR1591 to improve its telomerase inhibitory activity: design and synthesis of novel four chemical series with in silico, in vitro, and in vivo …
AA Al-Karmalawy, MHA Mousa, M Sharaky, MAE Mourad, ...
Journal of Medicinal Chemistry 67 (1), 492-512, 2023
142023
Competition between [2+ 1]-and [4+ 1]-cycloaddition mechanisms in reactions of conjugated nitroalkenes with dichlorocarbene in the light of a DFT computational study
RA Alnajjar, R Jasiński
Journal of Molecular Modeling 25 (6), 157, 2019
142019
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