Shahwan M - Search Results

1

Virtual screening and molecular dynamics simulations identify repurposed drugs as potent inhibitors of Histone deacetylase 1: Implication in cancer therapeutics.

Alrouji M, Yasmin S, Alshammari MS, Alhumaydhi FA, Sharaf SE, Shahwan M, Shamsi A. Alrouji M, et al. Among authors: shahwan m. PLoS One. 2025 Jan 3;20(1):e0316343. doi: 10.1371/journal.pone.0316343. eCollection 2025. PLoS One. 2025. PMID: 39752394 Free PMC article.

2

Computational insight into the binding of bryostatin 1 with ferritin: implication of natural compounds in Alzheimer's disease therapeutics.

Shahwan M, Alhumaydhi FA, Sharaf SE, Alghamdi BS, Baeesa S, Tayeb HO, Ashraf GM, Shamsi A. Shahwan M, et al. J Biomol Struct Dyn. 2023 Jul-Aug;41(12):5635-5645. doi: 10.1080/07391102.2022.2092552. Epub 2022 Jul 5. J Biomol Struct Dyn. 2023. PMID: 35787781

3

PF543-like compound, a promising sphingosine kinase 1 inhibitor: Structure-based virtual screening and molecular dynamic simulation approaches.

Shahwan M, Hassan N, Ashames A, Alrouji M, Alhumaydhi F, Al Abdulmonem W, Muhsinah AB, Furkan M, Khan RH, Shamsi A, Atiya A. Shahwan M, et al. Int J Biol Macromol. 2023 Aug 1;245:125466. doi: 10.1016/j.ijbiomac.2023.125466. Epub 2023 Jun 20. Int J Biol Macromol. 2023. PMID: 37348582

4

Computational Screening of Repurposed Drugs for HMG-CoA Synthase 2 in Alzheimer's Disease.

Shamsi A, Furkan M, Khan MS, Yadav DK, Shahwan M. Shamsi A, et al. Among authors: shahwan m. J Alzheimers Dis. 2024;100(2):475-485. doi: 10.3233/JAD-240376. J Alzheimers Dis. 2024. PMID: 38875044

5

ROS1 kinase inhibition reimagined: identifying repurposed drug via virtual screening and molecular dynamics simulations for cancer therapeutics.

Alrouji M, Yasmin S, Alhumaydhi FA, Sharaf SE, Shahwan M, Shamsi A. Alrouji M, et al. Among authors: shahwan m. Front Chem. 2024 Jul 29;12:1392650. doi: 10.3389/fchem.2024.1392650. eCollection 2024. Front Chem. 2024. PMID: 39136033 Free PMC article.

6

Understanding binding between donepezil and human ferritin: molecular docking and molecular dynamics simulation approach.

Shahwan M, Khan MS, Husain FM, Shamsi A. Shahwan M, et al. J Biomol Struct Dyn. 2022 Jun;40(9):3871-3879. doi: 10.1080/07391102.2020.1851302. Epub 2020 Nov 23. J Biomol Struct Dyn. 2022. PMID: 33228460

7

Elucidating the Interaction of Human Ferritin with Quercetin and Naringenin: Implication of Natural Products in Neurodegenerative Diseases: Molecular Docking and Dynamics Simulation Insight.

Shamsi A, Shahwan M, Khan MS, Husain FM, Alhumaydhi FA, Aljohani ASM, Rehman MT, Hassan MI, Islam A. Shamsi A, et al. Among authors: shahwan m. ACS Omega. 2021 Mar 11;6(11):7922-7930. doi: 10.1021/acsomega.1c00527. eCollection 2021 Mar 23. ACS Omega. 2021. PMID: 33778303 Free PMC article.

8

Spectroscopic, calorimetric and in silico insight into the molecular interactions of Memantine with human transferrin: Implications of Alzheimer's drugs.

Shamsi A, Shahwan M, Alhumaydhi FA, Alwashmi ASS, Aljasir MA, Alsagaby SA, Al Abdulmonem W, Hassan MI, Islam A. Shamsi A, et al. Among authors: shahwan m. Int J Biol Macromol. 2021 Nov 1;190:660-666. doi: 10.1016/j.ijbiomac.2021.09.017. Epub 2021 Sep 8. Int J Biol Macromol. 2021. PMID: 34508722

9

Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin: Computational and Spectroscopic Approaches.

Shamsi A, Shahwan M, Khan MS, Alhumaydhi FA, Alsagaby SA, Al Abdulmonem W, Abdullaev B, Yadav DK. Shamsi A, et al. Among authors: shahwan m. Molecules. 2022 Jan 25;27(3):797. doi: 10.3390/molecules27030797. Molecules. 2022. PMID: 35164061 Free PMC article.

10

Role of polyphenols in combating Type 2 Diabetes and insulin resistance.

Shahwan M, Alhumaydhi F, Ashraf GM, Hasan PMZ, Shamsi A. Shahwan M, et al. Int J Biol Macromol. 2022 May 1;206:567-579. doi: 10.1016/j.ijbiomac.2022.03.004. Epub 2022 Mar 2. Int J Biol Macromol. 2022. PMID: 35247420 Review.

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