Poso A - Search Results

1

Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease M^pro and Papain-like Protease PL^pro of SARS-CoV-2.

Santos LH, Kronenberger T, Almeida RG, Silva EB, Rocha REO, Oliveira JC, Barreto LV, Skinner D, Fajtová P, Giardini MA, Woodworth B, Bardine C, Lourenço AL, Craik CS, Poso A, Podust LM, McKerrow JH, Siqueira-Neto JL, O'Donoghue AJ, da Silva Júnior EN, Ferreira RS. Santos LH, et al. Among authors: poso a. J Chem Inf Model. 2022 Dec 26;62(24):6553-6573. doi: 10.1021/acs.jcim.2c00693. Epub 2022 Aug 12. J Chem Inf Model. 2022. PMID: 35960688

2

The inner rod of virulence-associated type III secretion systems constitutes a needle adapter of one helical turn that is deeply integrated into the system's export apparatus.

Torres-Vargas CE, Kronenberger T, Roos N, Dietsche T, Poso A, Wagner S. Torres-Vargas CE, et al. Among authors: poso a. Mol Microbiol. 2019 Sep;112(3):918-931. doi: 10.1111/mmi.14327. Epub 2019 Jun 26. Mol Microbiol. 2019. PMID: 31183905 Free article.

3

Ligand- and Structure-Based Approaches of Escherichia coli FabI Inhibition by Triclosan Derivatives: From Chemical Similarity to Protein Dynamics Influence.

Kronenberger T, de Oliveira Fernades P, Drumond Franco I, Poso A, Gonçalves Maltarollo V. Kronenberger T, et al. Among authors: poso a. ChemMedChem. 2019 Dec 4;14(23):1995-2004. doi: 10.1002/cmdc.201900415. Epub 2019 Nov 7. ChemMedChem. 2019. PMID: 31670463 Free PMC article.

4

The application of machine learning techniques to innovative antibacterial discovery and development.

Serafim MSM, Kronenberger T, Oliveira PR, Poso A, Honório KM, Mota BEF, Maltarollo VG. Serafim MSM, et al. Among authors: poso a. Expert Opin Drug Discov. 2020 Oct;15(10):1165-1180. doi: 10.1080/17460441.2020.1776696. Epub 2020 Jun 17. Expert Opin Drug Discov. 2020. PMID: 32552005 Review.

5

Design, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors.

Kronenberger T, Ferreira GM, de Souza ADF, da Silva Santos S, Poso A, Ribeiro JA, Tavares MT, Pavan FR, Trossini GHG, Dias MVB, Parise-Filho R. Kronenberger T, et al. Among authors: poso a. Bioorg Med Chem. 2020 Aug 1;28(15):115600. doi: 10.1016/j.bmc.2020.115600. Epub 2020 Jun 20. Bioorg Med Chem. 2020. PMID: 32631571

6

Structural Characterization of LsrK as a Quorum Sensing Target and a Comparison between X-ray and Homology Models.

Medarametla P, Kronenberger T, Laitinen T, Poso A. Medarametla P, et al. Among authors: poso a. J Chem Inf Model. 2021 Mar 22;61(3):1346-1353. doi: 10.1021/acs.jcim.0c01233. Epub 2021 Mar 8. J Chem Inf Model. 2021. PMID: 33683884 Free PMC article.

7

Tetrahydroquinoline/4,5-Dihydroisoxazole Molecular Hybrids as Inhibitors of Breast Cancer Resistance Protein (BCRP/ABCG2).

Vesga LC, Kronenberger T, Tonduru AK, Kita DH, Zattoni IF, Bernal CC, Bohórquez ARR, Mendez-Sánchez SC, Ambudkar SV, Valdameri G, Poso A. Vesga LC, et al. Among authors: poso a. ChemMedChem. 2021 Sep 6;16(17):2686-2694. doi: 10.1002/cmdc.202100188. Epub 2021 May 18. ChemMedChem. 2021. PMID: 33844464 Free PMC article.

8

Ligand Accessibility Insights to the Dengue Virus NS3-NS2B Protease Assessed by Long-Timescale Molecular Dynamics Simulations.

Kronenberger T, Sá Magalhães Serafim M, Kumar Tonduru A, Gonçalves Maltarollo V, Poso A. Kronenberger T, et al. Among authors: poso a. ChemMedChem. 2021 Aug 19;16(16):2524-2534. doi: 10.1002/cmdc.202100246. Epub 2021 May 18. ChemMedChem. 2021. PMID: 33899341 Free PMC article.

9

Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.

Tesch R, Rak M, Raab M, Berger LM, Kronenberger T, Joerger AC, Berger BT, Abdi I, Hanke T, Poso A, Strebhardt K, Sanhaji M, Knapp S. Tesch R, et al. Among authors: poso a. J Med Chem. 2021 Jun 24;64(12):8142-8160. doi: 10.1021/acs.jmedchem.0c02144. Epub 2021 Jun 4. J Med Chem. 2021. PMID: 34086472

10

SARS-COV-2 M^pro conformational changes induced by covalently bound ligands.

Ferreira GM, Kronenberger T, Tonduru AK, Hirata RDC, Hirata MH, Poso A. Ferreira GM, et al. Among authors: poso a. J Biomol Struct Dyn. 2022;40(22):12347-12357. doi: 10.1080/07391102.2021.1970626. Epub 2021 Sep 13. J Biomol Struct Dyn. 2022. PMID: 34516349 Free PMC article.

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