Taranto AG - Search Results

1

Identification of potential human beta-secretase 1 inhibitors by hierarchical virtual screening and molecular dynamics.

do Bomfim MR, Barbosa DB, de Carvalho PB, da Silva AM, de Oliveira TA, Taranto AG, Leite FHA. do Bomfim MR, et al. Among authors: taranto ag. J Biomol Struct Dyn. 2023 Jul;41(10):4560-4574. doi: 10.1080/07391102.2022.2069155. Epub 2022 May 1. J Biomol Struct Dyn. 2023. PMID: 35491692

2

Interaction between artemisinin and heme. A Density Functional Theory study of structures and interaction energies.

Araújo JQ, Carneiro JW, de Araujo MT, Leite FH, Taranto AG. Araújo JQ, et al. Among authors: taranto ag. Bioorg Med Chem. 2008 May 1;16(9):5021-9. doi: 10.1016/j.bmc.2008.03.033. Epub 2008 Mar 16. Bioorg Med Chem. 2008. PMID: 18375130

3

Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies.

Taranto AG, Costa SC, Leite FH, de Sá MS, Soares MB, Mussi MM, Branco A. Taranto AG, et al. Nat Prod Res. 2017 Mar;31(6):729-733. doi: 10.1080/14786419.2016.1219856. Epub 2016 Aug 13. Nat Prod Res. 2017. PMID: 27686750

4

Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets.

Maia EH, Campos VA, Dos Reis Santos B, Costa MS, Lima IG, Greco SJ, Ribeiro RI, Munayer FM, da Silva AM, Taranto AG. Maia EH, et al. Among authors: taranto ag. J Mol Model. 2017 Jan;23(1):26. doi: 10.1007/s00894-016-3184-9. Epub 2017 Jan 7. J Mol Model. 2017. PMID: 28064377

5

Docking-based virtual screening of Brazilian natural compounds using the OOMT as the pharmacological target database.

Carregal AP, Maciel FV, Carregal JB, Dos Reis Santos B, da Silva AM, Taranto AG. Carregal AP, et al. Among authors: taranto ag. J Mol Model. 2017 Apr;23(4):111. doi: 10.1007/s00894-017-3253-8. Epub 2017 Mar 11. J Mol Model. 2017. PMID: 28285443

6

Molecular Architect: A User-Friendly Workflow for Virtual Screening.

Maia EHB, Medaglia LR, da Silva AM, Taranto AG. Maia EHB, et al. Among authors: taranto ag. ACS Omega. 2020 Mar 20;5(12):6628-6640. doi: 10.1021/acsomega.9b04403. eCollection 2020 Mar 31. ACS Omega. 2020. PMID: 32258898 Free PMC article.

7

Identification of novel antiplasmodial compound by hierarquical virtual screening and in vitro assays.

Costa Júnior DB, Araújo JSC, de Mattos Oliveira L, Neri FSM, Moreira POL, Taranto AG, Fonseca AL, de Pilla Varotti F, Leite FHA. Costa Júnior DB, et al. Among authors: taranto ag. J Biomol Struct Dyn. 2021 Jun;39(9):3378-3386. doi: 10.1080/07391102.2020.1763837. Epub 2020 May 13. J Biomol Struct Dyn. 2021. PMID: 32364060

8

Structure-Based Virtual Screening: From Classical to Artificial Intelligence.

Maia EHB, Assis LC, de Oliveira TA, da Silva AM, Taranto AG. Maia EHB, et al. Among authors: taranto ag. Front Chem. 2020 Apr 28;8:343. doi: 10.3389/fchem.2020.00343. eCollection 2020. Front Chem. 2020. PMID: 32411671 Free PMC article. Review.

9

A novel antiplasmodial compound: integration of in silico and in vitro assays.

Costa Júnior DB, Araújo JSC, Oliveira LM, Neri FSM, Moreira POL, Taranto AG, Fonseca AL, Varotti FP, Leite FHA. Costa Júnior DB, et al. Among authors: taranto ag. J Biomol Struct Dyn. 2022 Sep;40(14):6295-6307. doi: 10.1080/07391102.2021.1882339. Epub 2021 Feb 8. J Biomol Struct Dyn. 2022. PMID: 33554762

10

Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems.

de Oliveira TA, Medaglia LR, Maia EHB, Assis LC, de Carvalho PB, da Silva AM, Taranto AG. de Oliveira TA, et al. Among authors: taranto ag. Pharmaceuticals (Basel). 2022 Jan 22;15(2):132. doi: 10.3390/ph15020132. Pharmaceuticals (Basel). 2022. PMID: 35215245 Free PMC article.

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