| Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies AA Alzain, FA Elbadwi, FO Alsamani Informatics in Medicine Unlocked 29, 100870, 2022 | 33 | 2022 |
| Drug repurposing for SARS-CoV-2 main protease: Molecular docking and molecular dynamics investigations SE Omer, TM Ibrahim, OA Krar, AM Ali, AA Makki, W Ibraheem, AA Alzain Biochemistry and biophysics reports 29, 101225, 2022 | 31 | 2022 |
| Identification of novel transmembrane Protease Serine Type 2 drug candidates for COVID-19 using computational studies FA Elbadwi, EA Khairy, FO Alsamani, MA Mahadi, SE Abdalrahman, ... Informatics Med. Unlocked 26, 100725, 2021 | 24* | 2021 |
| Identification of novel Plasmodium falciparum dihydroorotate dehydrogenase inhibitors for malaria using in silico studies AA Alzain, ZAM Ahmed, MA Mahadi, FA Elbadwi Scientific African 16, e01214, 2022 | 20 | 2022 |
| Identification of novel TMPRSS2 inhibitors for COVID-19 using e-pharmacophore modelling, molecular docking, molecular dynamics and quantum mechanics studies AA Alzain, FA Elbadwi Informatics in Medicine Unlocked 26, 100758, 2021 | 18 | 2021 |
| Design of novel coumarins as potent Mcl-1 inhibitors for cancer treatment guided by 3D-QSAR, molecular docking and molecular dynamics EA Osman, MA Abdalla, MO Abdelraheem, MF Ali, SA Osman, YM Tanir, ... Informatics in Medicine Unlocked 26, 100765, 2021 | 18 | 2021 |
| Exploring the potential of approved drugs for triple-negative breast cancer treatment by targeting casein kinase 2: Insights from computational studies TH Shoaib, W Ibraheem, M Abdelrahman, W Osman, AE Sherif, A Ashour, ... PLoS One 18 (8), e0289887, 2023 | 17 | 2023 |
| Molecular docking and molecular dynamics studies reveal the anticancer potential of medicinal-plant-derived lignans as MDM2-P53 interaction inhibitors TH Shoaib, N Abdelmoniem, RM Mukhtar, AT Alqhtani, AL Alalawi, ... Molecules 28 (18), 6665, 2023 | 15 | 2023 |
| Identification of novel natural dual HDAC and Hsp90 inhibitors for metastatic TNBC using e-pharmacophore modeling, molecular docking, and molecular dynamics studies N AbdElmoniem, M H. Abdallah, R M. Mukhtar, F Moutasim, ... Molecules 28 (4), 1771, 2023 | 15 | 2023 |
| Targeting the omicron variant of SARS-CoV-2 with phytochemicals from Saudi medicinal plants: Molecular docking combined with molecular dynamics investigations L Eltaib, AA Alzain Journal of Biomolecular Structure and Dynamics 41 (19), 9732-9744, 2023 | 13 | 2023 |
| Modulation of NRF2/KEAP1-mediated oxidative stress for cancer treatment by natural products using pharmacophore-based screening, molecular docking, and molecular dynamics studies AA Alzain, RM Mukhtar, N Abdelmoniem, TH Shoaib, W Osman, ... Molecules 28 (16), 6003, 2023 | 13 | 2023 |
| Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamics AO Mohammed, MI Abo-Idrees, AA Makki, W Ibraheem, AA Alzain Structural Chemistry 33 (5), 1553-1567, 2022 | 12 | 2022 |
| Discovery of novel natural products as dual MNK/PIM inhibitors for acute myeloid leukemia treatment: pharmacophore modeling, molecular docking, and molecular dynamics studies LM Mohamed, MM Eltigani, MH Abdallah, H Ghaboosh, YA Bin Jardan, ... Frontiers in Chemistry 10, 975191, 2022 | 12 | 2022 |
| De novo design of novel spike glycoprotein inhibitors using e-pharmacophore modeling, molecular hybridization, ADMET, quantum mechanics and molecular dynamics studies for COVID-19. AA Alzain, A Ismail, M Fadlelmola, MA Mohamed, M Mahjoub, AA Makki, ... Pakistan Journal of Pharmaceutical Sciences 35, 2022 | 12 | 2022 |
| Assessing the antibacterial potential of 6-gingerol: Combined experimental and computational approaches MA Elfaky, HM Okairy, HM Abdallah, AE Koshak, GA Mohamed, ... Saudi Pharmaceutical Journal 32 (5), 102041, 2024 | 10 | 2024 |
| Antimicrobial and anti-virulence activities of 4-shogaol from grains of paradise against gram-negative bacteria: Integration of experimental and computational methods AE Koshak, HM Okairy, MA Elfaky, HM Abdallah, GA Mohamed, ... Journal of Ethnopharmacology 323, 117611, 2024 | 10 | 2024 |
| Design of novel letrozole analogues targeting aromatase for breast cancer: Molecular docking, molecular dynamics, and theoretical studies on gold nanoparticles A Edris, M Abdelrahman, W Osman, AE Sherif, A Ashour, EAE Garelnabi, ... Metabolites 13 (5), 583, 2023 | 10 | 2023 |
| Computational insights into natural antischistosomal metabolites as SmHDAC8 inhibitors: molecular docking, ADMET profiling, and molecular dynamics simulation AA Alzain, RM Mukhtar, N Abdelmoniem, FA Elbadwi, A Hussien, ... Metabolites 13 (5), 658, 2023 | 9 | 2023 |
| Turning down PI3K/AKT/mTOR signalling pathway by natural products: an in silico multi-target approach N Abd Emoniem, RM Mukhtar, H Ghaboosh, EM Elshamly, MA Mohamed, ... SAR and QSAR in Environmental Research 34 (2), 163-182, 2023 | 8 | 2023 |
| Dual targeting inhibitors for HIV-1 capsid and cyclophilin A: Molecular docking, molecular dynamics, and quantum mechanics FO Oubeid, MM Eltigani, RM Mukhtar, RA Ibrahim, MA Alzain, ... Molecular Simulation 48 (16), 1476-1489, 2022 | 8 | 2022 |
Magdi Awadalla MohamedProfessor of Pharmaceutical Chemistry, College of Pharmacy, Jouf UniversityEmail verificata su ju.edu.sa
