Maghsoud Y - Search Results

1

Investigation of the Inhibition Mechanism of Xanthine Oxidoreductase by Oxipurinol: A Computational Study.

Maghsoud Y, Dong C, Cisneros GA. Maghsoud Y, et al. J Chem Inf Model. 2023 Jul 10;63(13):4190-4206. doi: 10.1021/acs.jcim.3c00624. Epub 2023 Jun 15. J Chem Inf Model. 2023. PMID: 37319436 Free PMC article.

2

Toward the comprehensive calculations on the relationship between ¹ H, ¹³ C, ³¹ P chemical shifts, ² J_PH , and the bonding structure of different phosphoryl benzamides.

Gholivand K, Maghsoud Y, Hosseini M, Kahnouji M. Gholivand K, et al. Among authors: maghsoud y. Magn Reson Chem. 2019 Apr;57(4):S108-S116. doi: 10.1002/mrc.4820. Epub 2019 Jan 22. Magn Reson Chem. 2019. PMID: 30578739

3

Impact of Remdesivir Incorporation along the Primer Strand on SARS-CoV-2 RNA-Dependent RNA Polymerase.

Naseem-Khan S, Berger MB, Leddin EM, Maghsoud Y, Cisneros GA. Naseem-Khan S, et al. Among authors: maghsoud y. J Chem Inf Model. 2022 May 23;62(10):2456-2465. doi: 10.1021/acs.jcim.2c00201. Epub 2022 Apr 18. J Chem Inf Model. 2022. PMID: 35435671 Free PMC article.

4

Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition.

Maghsoud Y, Vázquez-Montelongo EA, Yang X, Liu C, Jing Z, Lee J, Harger M, Smith AK, Espinoza M, Guo HF, Kurie JM, Dalby KN, Ren P, Cisneros GA. Maghsoud Y, et al. J Chem Inf Model. 2023 Feb 13;63(3):986-1001. doi: 10.1021/acs.jcim.2c01448. Epub 2023 Jan 30. J Chem Inf Model. 2023. PMID: 36779232 Free PMC article.

5

Computational Characterization of the Inhibition Mechanism of Xanthine Oxidoreductase by Topiroxostat.

Maghsoud Y, Dong C, Cisneros GA. Maghsoud Y, et al. ACS Catal. 2023 May 5;13(9):6023-6043. doi: 10.1021/acscatal.3c01245. Epub 2023 Apr 18. ACS Catal. 2023. PMID: 37547543 Free PMC article.

6

Unleashing the Potential of 1,3-Diketone Analogues as Selective LH2 Inhibitors.

Lee J, Guo HF, Wang S, Maghsoud Y, Vázquez-Montelongo EA, Jing Z, Sammons RM, Cho EJ, Ren P, Cisneros GA, Kurie JM, Dalby KN. Lee J, et al. Among authors: maghsoud y. ACS Med Chem Lett. 2023 Sep 22;14(10):1396-1403. doi: 10.1021/acsmedchemlett.3c00305. eCollection 2023 Oct 12. ACS Med Chem Lett. 2023. PMID: 37849534 Free PMC article.

7

A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation.

Gholivand K, Kahnouji M, Maghsoud Y, Masumian E, Hosseini M. Gholivand K, et al. Among authors: maghsoud y. J Mol Model. 2018 Oct 29;24(11):328. doi: 10.1007/s00894-018-3865-7. J Mol Model. 2018. PMID: 30374628

8

Effects of the Y432S Cancer-Associated Variant on the Reaction Mechanism of Human DNA Polymerase κ.

Maghsoud Y, Roy A, Leddin EM, Cisneros GA. Maghsoud Y, et al. J Chem Inf Model. 2024 May 27;64(10):4231-4249. doi: 10.1021/acs.jcim.4c00339. Epub 2024 May 8. J Chem Inf Model. 2024. PMID: 38717969

9

Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects.

Maghsoud Y, Jayasinghe-Arachchige VM, Kumari P, Cisneros GA, Liu J. Maghsoud Y, et al. J Chem Inf Model. 2023 Nov 13;63(21):6834-6850. doi: 10.1021/acs.jcim.3c01284. Epub 2023 Oct 25. J Chem Inf Model. 2023. PMID: 37877218

10

Relations between Structural and Luminescence Properties of Novel Lanthanide Nitrate Complexes with Bis-phosphoramidate Ligands.

Gholivand K, Hosseini M, Maghsoud Y, Valenta J, Ebrahimi Valmuzi AA, Owczarzak A, Kubicki M, Jamshidi M, Kahnouji M. Gholivand K, et al. Among authors: maghsoud y. Inorg Chem. 2019 May 6;58(9):5630-5645. doi: 10.1021/acs.inorgchem.8b03611. Epub 2019 Apr 5. Inorg Chem. 2019. PMID: 30951297

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