Sartori G - Search Results

1

Development of New Potential Inhibitors of β1 Integrins through In Silico Methods-Screening and Computational Validation.

Vasconcelos D, Chaves B, Albuquerque A, Andrade L, Henriques A, Sartori G, Savino W, Caffarena E, Martins-Da-Silva JH. Vasconcelos D, et al. Among authors: sartori g. Life (Basel). 2022 Jun 22;12(7):932. doi: 10.3390/life12070932. Life (Basel). 2022. PMID: 35888022 Free PMC article.

2

Guidelines To Predict Binding Poses of Antibody-Integrin Complexes.

Chaves B, Sartori GR, Vasconcelos DCA, Savino W, Caffarena ER, Cotta-de-Almeida V, da Silva JHM. Chaves B, et al. ACS Omega. 2020 Jun 26;5(27):16379-16385. doi: 10.1021/acsomega.0c00226. eCollection 2020 Jul 14. ACS Omega. 2020. PMID: 32685800 Free PMC article.

3

Computationally-obtained structural insights into the molecular interactions between Pidilizumab and binding partners DLL1 and PD-1.

Albuquerque AO, da Silva Junior HC, Sartori GR, Martins da Silva JH. Albuquerque AO, et al. J Biomol Struct Dyn. 2022 Sep;40(14):6450-6462. doi: 10.1080/07391102.2021.1885492. Epub 2021 Feb 9. J Biomol Struct Dyn. 2022. PMID: 33559526

4

Investigation of Unprecedented Sites and Proposition of New Ligands for Programmed Cell Death Protein I through Molecular Dynamics with Probes and Virtual Screening.

Andrade L, Albuquerque A, Santos-Costa A, Vasconcelos D, Savino W, Sartori GR, Martins Da Silva JH. Andrade L, et al. J Chem Inf Model. 2022 Mar 14;62(5):1236-1248. doi: 10.1021/acs.jcim.1c01122. Epub 2022 Feb 24. J Chem Inf Model. 2022. PMID: 35202544

5

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika.

Mottin M, de Paula Sousa BK, de Moraes Roso Mesquita NC, de Oliveira KIZ, Noske GD, Sartori GR, de Oliveira Albuquerque A, Urbina F, Puhl AC, Moreira-Filho JT, Souza GE, Guido RVC, Muratov E, Neves BJ, Martins da Silva JH, Clark AE, Siqueira-Neto JL, Perryman AL, Oliva G, Ekins S, Andrade CH. Mottin M, et al. Among authors: sartori gr. J Chem Inf Model. 2022 Dec 26;62(24):6825-6843. doi: 10.1021/acs.jcim.2c00596. Epub 2022 Oct 14. J Chem Inf Model. 2022. PMID: 36239304 Free PMC article.

6

Optimization of Resveratrol Used as a Scaffold to Design Histone Deacetylase (HDAC-1 and HDAC-2) Inhibitors.

Urias BS, Pavan AR, Albuquerque GR, Prokopczyk IM, Alves TMF, de Melo TRF, Sartori GR, da Silva JHM, Chin CM, Santos JLD. Urias BS, et al. Pharmaceuticals (Basel). 2022 Oct 13;15(10):1260. doi: 10.3390/ph15101260. Pharmaceuticals (Basel). 2022. PMID: 36297372 Free PMC article.

7

Highly predictive hologram QSAR models of nitrile-containing cruzain inhibitors.

Silva DG, Rocha JR, Sartori GR, Montanari CA. Silva DG, et al. J Biomol Struct Dyn. 2017 Nov;35(15):3232-3249. doi: 10.1080/07391102.2016.1252282. Epub 2016 Nov 28. J Biomol Struct Dyn. 2017. PMID: 27809673

8

Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds.

Borges NM, Sartori GR, Ribeiro JFR, Rocha JR, Martins JBL, Montanari CA, Gargano R. Borges NM, et al. J Mol Model. 2018 Jan 13;24(1):41. doi: 10.1007/s00894-017-3548-9. J Mol Model. 2018. PMID: 29332299

9

Ligand-induced conformational selection predicts the selectivity of cysteine protease inhibitors.

Sartori GR, Leitão A, Montanari CA, Laughton CA. Sartori GR, et al. PLoS One. 2019 Dec 19;14(12):e0222055. doi: 10.1371/journal.pone.0222055. eCollection 2019. PLoS One. 2019. PMID: 31856175 Free PMC article.

10

Automated molecule editing in molecular design.

Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR. Kenny PW, et al. J Comput Aided Mol Des. 2013 Aug;27(8):655-64. doi: 10.1007/s10822-013-9676-0. Epub 2013 Sep 4. J Comput Aided Mol Des. 2013. PMID: 24002455

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