Sartori GR - Search Results

1

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.

2

Automated molecule editing in molecular design.

Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR. Kenny PW, et al. Among authors: sartori gr. 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

3

Integration of methods in cheminformatics and biocalorimetry for the design of trypanosomatid enzyme inhibitors.

Prokopczyk IM, Ribeiro JF, Sartori GR, Sesti-Costa R, Silva JS, Freitas RF, Leitão A, Montanari CA. Prokopczyk IM, et al. Among authors: sartori gr. Future Med Chem. 2014 Jan;6(1):17-33. doi: 10.4155/fmc.13.185. Future Med Chem. 2014. PMID: 24358945

4

Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design.

Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JF, Sartori GR. Kenny PW, et al. Among authors: sartori gr. J Med Chem. 2016 May 12;59(9):4278-88. doi: 10.1021/acs.jmedchem.5b01946. Epub 2016 Feb 26. J Med Chem. 2016. PMID: 26872049

5

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

Silva DG, Rocha JR, Sartori GR, Montanari CA. Silva DG, et al. Among authors: sartori gr. 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

6

The influence of hydrogen bonding on partition coefficients.

Borges NM, Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JF, Rocha JR, Sartori GR. Borges NM, et al. Among authors: sartori gr. J Comput Aided Mol Des. 2017 Feb;31(2):163-181. doi: 10.1007/s10822-016-0002-5. Epub 2017 Jan 4. J Comput Aided Mol Des. 2017. PMID: 28054187

7

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. Among authors: sartori gr. J Mol Model. 2018 Jan 13;24(1):41. doi: 10.1007/s00894-017-3548-9. J Mol Model. 2018. PMID: 29332299

8

Leveraging the cruzain S3 subsite to increase affinity for reversible covalent inhibitors.

Cianni L, Sartori G, Rosini F, De Vita D, Pires G, Lopes BR, Leitão A, Burtoloso ACB, Montanari CA. Cianni L, et al. Bioorg Chem. 2018 Sep;79:285-292. doi: 10.1016/j.bioorg.2018.04.006. Epub 2018 Apr 26. Bioorg Chem. 2018. PMID: 29783099

9

Comparative Analysis of Electrostatic Models for Ligand Docking.

Sartori GR, Nascimento AS. Sartori GR, et al. Front Mol Biosci. 2019 Jul 3;6:52. doi: 10.3389/fmolb.2019.00052. eCollection 2019. Front Mol Biosci. 2019. PMID: 31334248 Free PMC article.

10

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. Among authors: sartori gr. 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

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