Alzain AA - Search Results

1

Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies.

Alzain AA, Elbadwi FA, Alsamani FO. Alzain AA, et al. Inform Med Unlocked. 2022;29:100870. doi: 10.1016/j.imu.2022.100870. Epub 2022 Feb 2. Inform Med Unlocked. 2022. PMID: 35128036 Free PMC article.

2

Identification of novel transmembrane Protease Serine Type 2 drug candidates for COVID-19 using computational studies.

Elbadwi FA, Khairy EA, Alsamani FO, Mahadi MA, Abdalrahman SE, Ahmed ZAM, Elsayed I, Ibraheem W, Alzain AA. Elbadwi FA, et al. Among authors: alzain aa. Inform Med Unlocked. 2021;26:100725. doi: 10.1016/j.imu.2021.100725. Epub 2021 Sep 7. Inform Med Unlocked. 2021. PMID: 34514079 Free PMC article.

3

Identification of novel TMPRSS2 inhibitors for COVID-19 using e-pharmacophore modelling, molecular docking, molecular dynamics and quantum mechanics studies.

Alzain AA, Elbadwi FA. Alzain AA, et al. Inform Med Unlocked. 2021;26:100758. doi: 10.1016/j.imu.2021.100758. Epub 2021 Oct 14. Inform Med Unlocked. 2021. PMID: 34667827 Free PMC article.

4

Drug repurposing for SARS-CoV-2 main protease: Molecular docking and molecular dynamics investigations.

Omer SE, Ibrahim TM, Krar OA, Ali AM, Makki AA, Ibraheem W, Alzain AA. Omer SE, et al. Among authors: alzain aa. Biochem Biophys Rep. 2022 Mar;29:101225. doi: 10.1016/j.bbrep.2022.101225. Epub 2022 Jan 31. Biochem Biophys Rep. 2022. PMID: 35128086 Free PMC article.

5

Phthalide derivatives as dihydrofolate reductase inhibitors for malaria: molecular docking and molecular dynamics studies.

Ibraheem W, Makki AA, Alzain AA. Ibraheem W, et al. Among authors: alzain aa. J Biomol Struct Dyn. 2023 Jul;41(11):5127-5137. doi: 10.1080/07391102.2022.2080114. Epub 2022 May 28. J Biomol Struct Dyn. 2023. PMID: 35635144

6

Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamics.

Mohammed AO, Abo-Idrees MI, Makki AA, Ibraheem W, Alzain AA. Mohammed AO, et al. Among authors: alzain aa. Struct Chem. 2022;33(5):1553-1567. doi: 10.1007/s11224-022-01999-9. Epub 2022 Jun 27. Struct Chem. 2022. PMID: 35789829 Free PMC article.

7

De Novo Design of Cathepsin B1 Inhibitors as Potential Anti-Schistosomal Agents Using Computational Studies.

Alzain AA, Elbadwi FA. Alzain AA, et al. Adv Appl Bioinform Chem. 2022 Aug 1;15:29-41. doi: 10.2147/AABC.S361626. eCollection 2022. Adv Appl Bioinform Chem. 2022. PMID: 35935393 Free PMC article.

8

Discovery of novel natural products as dual MNK/PIM inhibitors for acute myeloid leukemia treatment: Pharmacophore modeling, molecular docking, and molecular dynamics studies.

Mohamed LM, Eltigani MM, Abdallah MH, Ghaboosh H, Bin Jardan YA, Yusuf O, Elsaman T, Mohamed MA, Alzain AA. Mohamed LM, et al. Among authors: alzain aa. Front Chem. 2022 Jul 22;10:975191. doi: 10.3389/fchem.2022.975191. eCollection 2022. Front Chem. 2022. PMID: 35936081 Free PMC article.

9

Discovery of novel potential inhibitors of TMPRSS2 and Mpro of SARS-CoV-2 using E-pharmacophore and docking-based virtual screening combined with molecular dynamic and quantum mechanics.

Mahgoub MA, Alnaem A, Fadlelmola M, Abo-Idris M, Makki AA, Abdelgadir AA, Alzain AA. Mahgoub MA, et al. Among authors: alzain aa. J Biomol Struct Dyn. 2023 Aug-Sep;41(14):6775-6788. doi: 10.1080/07391102.2022.2112080. Epub 2022 Aug 23. J Biomol Struct Dyn. 2023. PMID: 35997154

10

Design of Novel Phosphatidylinositol 3-Kinase Inhibitors for Non-Hodgkin's Lymphoma: Molecular Docking, Molecular Dynamics, and Density Functional Theory Studies on Gold Nanoparticles.

Ali AM, Makki AA, Ibraheem W, Abdelrahman M, Osman W, Sherif AE, Ashour A, Ibrahim SRM, Ghazawi KF, Samman WA, Alzain AA. Ali AM, et al. Among authors: alzain aa. Molecules. 2023 Mar 1;28(5):2289. doi: 10.3390/molecules28052289. Molecules. 2023. PMID: 36903539 Free PMC article.

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