Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the hACE2 Receptor AA Al-Karmalawy, MA Dahab, AM Metwaly, SS Elhady, EB Elkaeed, ... Frontiers in Chemistry 9, 661230, 2021 | 117 | 2021 |
Design, synthesis, molecular docking, and anticancer activity of benzoxazole derivatives as VEGFR‐2 inhibitors AGA El‐Helby, H Sakr, IH Eissa, H Abulkhair, AA Al‐Karmalawy, K El‐Adl Archiv der Pharmazie 352 (10), 1900113, 2019 | 101 | 2019 |
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 | 83 | 2020 |
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 | 78 | 2021 |
Benzoxazole/benzothiazole‐derived VEGFR‐2 inhibitors: design, synthesis, molecular docking, and anticancer evaluations AGA El‐Helby, H Sakr, IH Eissa, AA Al‐Karmalawy, K El‐Adl Archiv Der Pharmazie 352 (12), 1900178, 2019 | 78 | 2019 |
Empagliflozin and doxorubicin synergistically inhibit the survival of triple-negative breast cancer cells via interfering with the mTOR pathway and inhibition of calmodulin: in … SG Eliaa, AA Al-Karmalawy, RM Saleh, MF Elshal ACS Pharmacology & Translational Science 3 (6), 1330-1338, 2020 | 71 | 2020 |
Calendulaglycoside A showing potential activity against SARS-CoV-2 main protease: Molecular docking, molecular dynamics, and SAR studies AA Zaki, A Ashour, SS Elhady, KM Darwish, AA Al-Karmalawy Journal of traditional and complementary medicine 12 (1), 16-34, 2022 | 68 | 2022 |
Tanshinone IIA synergistically enhances the antitumor activity of doxorubicin by interfering with the PI3K/AKT/mTOR pathway and inhibition of topoisomerase II: in vitro and … A Ghanem, HA Emara, S Muawia, AI Abd El Maksoud, AA Al-Karmalawy, ... New Journal of Chemistry 44 (40), 17374-17381, 2020 | 68 | 2020 |
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 | 65 | 2021 |
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 | 64 | 2021 |
Bioactive polyphenolic compounds showing strong antiviral activities against severe acute respiratory syndrome coronavirus 2 A Kandeil, A Mostafa, O Kutkat, Y Moatasim, AA Al-Karmalawy, ... Pathogens 10 (6), 758, 2021 | 61 | 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 | 60 | 2020 |
Pimenta dioica (L.) Merr. Bioactive Constituents Exert Anti-SARS-CoV-2 and Anti-Inflammatory Activities: Molecular Docking and Dynamics, In Vitro, and In Vivo … HA El Gizawy, SA Boshra, A Mostafa, SH Mahmoud, MI Ismail, AA Alsfouk, ... Molecules 26 (19), 5844, 2021 | 59 | 2021 |
Molecular docking reveals the potential of Cleome amblyocarpa isolated compounds to inhibit COVID-19 virus main protease AA Zaki, AA Al-Karmalawy, YA El-Amier, A Ashour New Journal of Chemistry 44 (39), 16752-16758, 2020 | 58 | 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 | 57 | 2021 |
Bioassay-guided isolation of a new cytotoxic ceramide from Cyperus rotundus L. RM Samra, AF Soliman, AA Zaki, A Ashour, AA Al-Karmalawy, ... South African Journal of Botany 139, 210-216, 2021 | 56 | 2021 |
Design and discovery of new 1,2,4‐triazolo[4,3‐c]quinazolines as potential DNA intercalators and topoisomerase II inhibitors MS Alesawy, AA Al‐Karmalawy, EB Elkaeed, M Alswah, A Belal, ... Archiv Der Pharmazie 354 (3), 2000237, 2021 | 55 | 2021 |
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 | 55 | 2021 |
Telaprevir is a potential drug for repurposing against SARS-CoV-2: computational and in vitro studies A Mahmoud, A Mostafa, AA Al-Karmalawy, A Zidan, HS Abulkhair, ... Heliyon 7 (9), 2021 | 54 | 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 | 53 | 2022 |