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103 results

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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.
Elebeedy D, Elkhatib WF, Kandeil A, Ghanem A, Kutkat O, Alnajjar R, Saleh MA, Abd El Maksoud AI, Badawy I, Al-Karmalawy AA. Elebeedy D, et al. Among authors: alnajjar r. RSC Adv. 2021 Sep 1;11(47):29267-29286. doi: 10.1039/d1ra05268c. eCollection 2021 Sep 1. RSC Adv. 2021. PMID: 35492070 Free PMC article.
Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential antitumor activity.
Hammoud MM, Khattab M, Abdel-Motaal M, Van der Eycken J, Alnajjar R, Abulkhair HS, Al-Karmalawy AA. Hammoud MM, et al. Among authors: alnajjar r. J Biomol Struct Dyn. 2023 Jul;41(11):5199-5216. doi: 10.1080/07391102.2022.2082533. Epub 2022 Jun 8. J Biomol Struct Dyn. 2023. PMID: 35674744
Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies.
Abo Elmaaty A, Eldehna WM, Khattab M, Kutkat O, Alnajjar R, El-Taweel AN, Al-Rashood ST, Abourehab MAS, Binjubair FA, Saleh MA, Belal A, Al-Karmalawy AA. Abo Elmaaty A, et al. Among authors: alnajjar r. Int J Mol Sci. 2022 Oct 13;23(20):12235. doi: 10.3390/ijms232012235. Int J Mol Sci. 2022. PMID: 36293094 Free PMC article.
Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two Albizia spp., Molecular Docking and Dynamic Studies.
Hussein ME, Mohamed OG, El-Fishawy AM, El-Askary HI, Hamed AA, Abdel-Aziz MM, Alnajjar R, Belal A, Naglah AM, Almehizia AA, Al-Karmalawy AA, Tripathi A, El Senousy AS. Hussein ME, et al. Among authors: alnajjar r. Plants (Basel). 2022 Nov 29;11(23):3286. doi: 10.3390/plants11233286. Plants (Basel). 2022. PMID: 36501324 Free PMC article.
Design, Synthesis, Biological Evaluation, and Molecular Dynamics Studies of Novel Lapatinib Derivatives.
Elkamhawy A, Son S, Lee HY, El-Maghrabey MH, Hamd MAE, Alshammari SO, Abdelhameed AA, Alshammari QA, Abdeen A, Ibrahim SF, Mahdi WA, Alshehri S, Alnajjar R, Choi WJ, Al-Karmalawy AA, Lee K. Elkamhawy A, et al. Among authors: alnajjar r. Pharmaceuticals (Basel). 2022 Dec 28;16(1):43. doi: 10.3390/ph16010043. Pharmaceuticals (Basel). 2022. PMID: 36678540 Free PMC article.
Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics, and SAR studies.
Farouk F, Elmaaty AA, Elkamhawy A, Tawfik HO, Alnajjar R, Abourehab MAS, Saleh MA, Eldehna WM, Al-Karmalawy AA. Farouk F, et al. Among authors: alnajjar r. J Enzyme Inhib Med Chem. 2023 Dec;38(1):2171029. doi: 10.1080/14756366.2023.2171029. J Enzyme Inhib Med Chem. 2023. PMID: 36701269 Free PMC article.
103 results