| In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic … A Belhassan, S Chtita, H Zaki, M Alaqarbeh, N Alsakhen, F Almohtaseb, ... Journal of molecular structure 1258, 132652, 2022 | 50 | 2022 |
| Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach A Belhassan, H Zaki, S Chtita, M Alaqarbeh, N Alsakhen, M Benlyas, ... Computers in Biology and Medicine 136, 104758, 2021 | 46 | 2021 |
| molecular dynamics simulations and MM-PBSA calculations of the cyclodextrin inclusion complexes with 1-alkanols, para-substituted phenols and substituted imidazoles MBZ M.I. El-Barghouthi, C. Jaime, N.A. Al-Sakhen, A.A. Issa, A.A. Abdoh, M.M ... Journal of Molecular Structure THEOCHEM, 2008 | 41 | 2008 |
| Molecular dynamics simulation of a cucurbituril based molecular switch triggered by pH changes MIEB D.Malhis, Khaled Bodoor, Khaleel I.Assaf, Nada A.Al-Sakhen Computational and Theoretical Chemistry, 2015 | 19 | 2015 |
| Free energy perturbation and MM/PBSA studies on inclusion complexes of some structurally related compounds with β-cyclodextrin MI El-Barghouthi, C Jaime, RE Akielah, NA Al-Sakhen, NA Masoud, ... Supramolecular Chemistry 21 (7), 603-610, 2009 | 15 | 2009 |
| In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET … S Bouamrane, A Khaldan, H Hajji, R El-Mernissi, M Alaqarbeh, ... Molecular Diversity 27 (5), 2111-2132, 2023 | 14 | 2023 |
| Computational study of quinoline-based thiadiazole compounds as potential antileishmanial inhibitors A Khaldan, S Bouamrane, R El-mernissi, M Alaqarbeh, H Hajji, ... New Journal of Chemistry 46 (36), 17554-17576, 2022 | 13 | 2022 |
| Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation … H Hajji, M Alaqarbeh, T Lakhlifi, MA Ajana, N Alsakhen, M Bouachrine Computers in biology and medicine 150, 106209, 2022 | 11 | 2022 |
| A study of drug candidates derived from pleconaril for inhibiting coxsackievirus B3 (Cvb3) by ADMET, molecular docking, molecular dynamics and retrosynthesis Y Moukhliss, Y Koubi, M Alaqarbeh, N Alsakhen, S Hamzeh, H Maghat, ... New Journal of Chemistry 46 (21), 10154-10161, 2022 | 7 | 2022 |
| Computational approaches to discover a Kaempferol derivative extracted from Senna alexandrina as Escherichia coli enzyme (MurF) inhibitor by molecular … O Abdessadak, M Alaqarbeh, H Zaki, F Almohtaseb, N Alsakhen, ... Structural Chemistry 34 (3), 1173-1187, 2023 | 6 | 2023 |
| Discovery of 1-(5-bromopyrazin-2-yl)-1-[3-(trifluoromethyl) benzyl] urea as a promising anticancer drug via synthesis, characterization, biological screening, and computational … YHI Mohammed, IM Shamkh, NS Alharthi, MA Shanawaz, HA Alzahrani, ... Scientific Reports 13 (1), 22824, 2023 | 4 | 2023 |
| Cucurbit[7]uril Inclusion Complexes with Benzimidazole Derivatives: A Computational Study AIAMIEB • Samer K. Albdallah, Khaleel I. Assaf , Khaled Bodoor., Nada A. Al ... journal of solution chemistry, 2018 | 3 | 2018 |
| QSAR-driven screening uncovers and designs novel pyrimidine-4, 6-diamine derivatives as potent JAK3 inhibitors A Faris, IM Ibrahim, R Alnajjar, H Hadni, MA Bhat, M Yaseen, ... Journal of Biomolecular Structure and Dynamics, 1-30, 2023 | 2 | 2023 |
| Isoform switching leads to downregulation of cytokine producing genes in estrogen receptor positive breast cancer MS Khan, W Hanif, N Alsakhen, B Jabbar, IM Shamkh, AA Alsaiari, ... Frontiers in Genetics 14, 1230998, 2023 | 1 | 2023 |
| Computational analysis of bevacizumab binding with protein receptors for its potential anticancer activity N Alsakhen, ES Radwan, I Zafer, H Abed Alfattah, IM Shamkh, ... Journal of Biomolecular Structure and Dynamics, 1-21, 2024 | | 2024 |
| Free energy perturbation and MM/PBSA studies on inclusion complexes of some structurally related compounds with ?-cyclodextrin Journal : Supramolecular Chemistry AABMBZ M.I. El-Barghouthi ,C. Jaime,R.E. Akielah, N.A. Al-Sakhen,N.A. Masoud ... supramolecular chemistry, 2009 | | 2009 |
| Kaempferol Derivative Extracted From Senna Alexandrina Against Escherichia Coli UDPMurNAc-Tripeptide D-Alanyl-D-Alanine-Adding Enzyme (MurF) O Abdessadak, M Alaqarbeh, H Zaki, F Almohtaseb, N Alsakhen, ... Senna Alexandrina, 0 | | |
