LaPlante SR - Search Results

1

Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach.

Botelho FD, Santos MC, Gonçalves AS, França TCC, LaPlante SR, de Almeida JSFD. Botelho FD, et al. Among authors: laplante sr. J Biomol Struct Dyn. 2022 Aug;40(12):5309-5319. doi: 10.1080/07391102.2020.1870154. Epub 2021 Jan 7. J Biomol Struct Dyn. 2022. PMID: 33410376

2

Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors.

Botelho FD, Dos Santos MC, Gonçalves ADS, Kuca K, Valis M, LaPlante SR, França TCC, de Almeida JSFD. Botelho FD, et al. Among authors: laplante sr. Toxins (Basel). 2020 Nov 26;12(12):746. doi: 10.3390/toxins12120746. Toxins (Basel). 2020. PMID: 33256167 Free PMC article.

3

Searching for potential drugs against SARS-CoV-2 through virtual screening on several molecular targets.

Almeida JSFD, Botelho FD, de Souza FR, Dos Santos MC, Goncalves ADS, Rodrigues RLB, Cardozo M, Kitagawa DAS, Vieira LA, Silva RSF, Cavalcante SFA, Bastos LDC, Nogueira MOT, de Santana PIR, Brum JOC, Nepovimova E, Kuca K, LaPlante SR, Galante EBF, Franca TCC. Almeida JSFD, et al. Among authors: laplante sr. J Biomol Struct Dyn. 2022 Jul;40(11):5229-5242. doi: 10.1080/07391102.2020.1869096. Epub 2021 Jan 8. J Biomol Struct Dyn. 2022. PMID: 33416020 Free PMC article.

4

Docking and molecular dynamics studies of potential new leads against DBL3x derived from chondroitin sulfate A (CSA): a new approach for the treatment of malaria.

Spadeto JPM, Cormanich RA, Franca TCC, LaPlante SR, Goncalves AS. Spadeto JPM, et al. Among authors: laplante sr. J Biomol Struct Dyn. 2022 Nov;40(18):8384-8393. doi: 10.1080/07391102.2021.1911859. Epub 2021 Apr 16. J Biomol Struct Dyn. 2022. PMID: 33860724

5

Jumping from Fragment to Drug via Smart Scaffolds.

Farahani MD, França TCC, Alapour S, Shahout F, Boulon R, Iddir M, Maddalena M, Ayotte Y, LaPlante SR. Farahani MD, et al. Among authors: laplante sr. ChemMedChem. 2022 May 18;17(10):e202200092. doi: 10.1002/cmdc.202200092. Epub 2022 Apr 1. ChemMedChem. 2022. PMID: 35298873

6

Are the current commercially available oximes capable of reactivating acetylcholinesterase inhibited by the nerve agents of the A-series?

Santos MC, Botelho FD, Gonçalves AS, Kitagawa DAS, Borges CVN, Carvalho-Silva T, Bernardo LB, Ferreira CN, Rodrigues RB, Ferreira Neto DC, Nepovimova E, Kuča K, LaPlante SR, Lima ALS, França TCC, Cavalcante SFA. Santos MC, et al. Among authors: laplante sr. Arch Toxicol. 2022 Sep;96(9):2559-2572. doi: 10.1007/s00204-022-03316-z. Epub 2022 Jun 6. Arch Toxicol. 2022. PMID: 35666269

7

Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin.

França TCC, Botelho FD, Drummond ML, LaPlante SR. França TCC, et al. Among authors: laplante sr. ACS Omega. 2022 Aug 26;7(36):32805-32815. doi: 10.1021/acsomega.2c04819. eCollection 2022 Sep 13. ACS Omega. 2022. PMID: 36120038 Free PMC article.

8

Computational design of candidate multi-epitope vaccine against SARS-CoV-2 targeting structural (S and N) and non-structural (NSP3 and NSP12) proteins.

Ali Z, Cardoza JV, Basak S, Narsaria U, Singh VP, Isaac SP, França TCC, LaPlante SR, George SS. Ali Z, et al. Among authors: laplante sr. J Biomol Struct Dyn. 2023;41(22):13348-13367. doi: 10.1080/07391102.2023.2173297. Epub 2023 Feb 6. J Biomol Struct Dyn. 2023. PMID: 36744449

9

Molecular Dynamics of Outer Membrane-Embedded Polysaccharide Secretion Porins Reveals Closed Resting-State Surface Gates Targetable by Virtual Fragment Screening for Drug Hotspot Identification.

França TCC, Saïdi F, Ajamian A, Islam ST, LaPlante SR. França TCC, et al. Among authors: laplante sr. ACS Omega. 2024 Mar 4;9(11):13217-13226. doi: 10.1021/acsomega.3c09970. eCollection 2024 Mar 19. ACS Omega. 2024. PMID: 38524450 Free PMC article.

10

Reactivation of VX-Inhibited Human Acetylcholinesterase by Deprotonated Pralidoxime. A Complementary Quantum Mechanical Study.

da Silva JAV, Pereira AF, LaPlante SR, Kuca K, Ramalho TC, França TCC. da Silva JAV, et al. Among authors: laplante sr. Biomolecules. 2020 Jan 27;10(2):192. doi: 10.3390/biom10020192. Biomolecules. 2020. PMID: 32012780 Free PMC article.

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