de Melo EB - Search Results

1

Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitors.

de Oliveira LHD, Cruz JN, Dos Santos CBR, de Melo EB. de Oliveira LHD, et al. Among authors: de melo eb. Mol Divers. 2024 Oct;28(5):2931-2946. doi: 10.1007/s11030-023-10724-5. Epub 2023 Sep 6. Mol Divers. 2024. PMID: 37670118

2

Synthesis of (+)-(2R,3S,4R)-2,3,4-trihydroxycyclohexanone from D-glucose.

Carvalho I, de Melo EB. Carvalho I, et al. Among authors: de melo eb. Carbohydr Res. 2004 Jan 22;339(2):361-5. doi: 10.1016/j.carres.2003.10.010. Carbohydr Res. 2004. PMID: 14698894

3

SMILES-based 2D-QSAR and similarity search for identification of potential new scaffolds for development of SARS-CoV-2 MPRO inhibitors.

Costa AS, Martins JPA, de Melo EB. Costa AS, et al. Among authors: de melo eb. Struct Chem. 2022;33(5):1691-1706. doi: 10.1007/s11224-022-02008-9. Epub 2022 Jul 6. Struct Chem. 2022. PMID: 35811781 Free PMC article.

4

Pharmacophore modeling, molecular docking, and molecular dynamics studies to identify new 5-HT_2AR antagonists with the potential for design of new atypical antipsychotics.

Martins AF, de Campos LJ, Conda-Sheridan M, de Melo EB. Martins AF, et al. Among authors: de melo eb. Mol Divers. 2023 Oct;27(5):2217-2238. doi: 10.1007/s11030-022-10553-y. Epub 2022 Nov 21. Mol Divers. 2023. PMID: 36409431

5

Multivariate SAR/QSAR of 3-aryl-4-hydroxyquinolin-2(1H)-one derivatives as type I fatty acid synthase (FAS) inhibitors.

de Melo EB. de Melo EB. Eur J Med Chem. 2010 Dec;45(12):5817-26. doi: 10.1016/j.ejmech.2010.09.044. Epub 2010 Sep 29. Eur J Med Chem. 2010. PMID: 20965618

6

A QSAR Study of Matrix Metalloproteinases Type 2 (MMP-2) Inhibitors with Cinnamoyl Pyrrolidine Derivatives.

de Melo EB. de Melo EB. Sci Pharm. 2012 Apr-Jun;80(2):265-81. doi: 10.3797/scipharm.1112-21. Epub 2012 Jan 31. Sci Pharm. 2012. PMID: 22896815 Free PMC article.

7

Multivariate SAR and QSAR of cucurbitacin derivatives as cytotoxic compounds in a human lung adenocarcinoma cell line.

Lang KL, Silva IT, Machado VR, Zimmermann LA, Caro MS, Simões CM, Schenkel EP, Durán FJ, Bernardes LS, de Melo EB. Lang KL, et al. Among authors: de melo eb. J Mol Graph Model. 2014 Mar;48:70-9. doi: 10.1016/j.jmgm.2013.12.004. Epub 2013 Dec 12. J Mol Graph Model. 2014. PMID: 24378396

8

Analysis of oral and inhalation toxicity of per- and polyfluoroalkylated organic compounds in rats and mice using multivariate QSAR.

da Silva NABR, de Melo EB. da Silva NABR, et al. Among authors: de melo eb. SAR QSAR Environ Res. 2024 Oct;35(10):877-897. doi: 10.1080/1062936X.2024.2417250. Epub 2024 Oct 18. SAR QSAR Environ Res. 2024. PMID: 39421934

9

Multivariate QSAR study of 4,5-dihydroxypyrimidine carboxamides as HIV-1 integrase inhibitors.

de Melo EB, Ferreira MM. de Melo EB, et al. Eur J Med Chem. 2009 Sep;44(9):3577-83. doi: 10.1016/j.ejmech.2009.03.001. Epub 2009 Mar 9. Eur J Med Chem. 2009. PMID: 19327872

10

Four-dimensional structure-activity relationship model to predict HIV-1 integrase strand transfer inhibition using LQTA-QSAR methodology.

de Melo EB, Ferreira MM. de Melo EB, et al. J Chem Inf Model. 2012 Jul 23;52(7):1722-32. doi: 10.1021/ci300039a. Epub 2012 Jun 21. J Chem Inf Model. 2012. PMID: 22657398

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