Braga RC - Search Results

1

STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity.

Borba JVB, Alves VM, Braga RC, Korn DR, Overdahl K, Silva AC, Hall SUS, Overdahl E, Kleinstreuer N, Strickland J, Allen D, Andrade CH, Muratov EN, Tropsha A. Borba JVB, et al. Among authors: braga rc. Environ Health Perspect. 2022 Feb;130(2):27012. doi: 10.1289/EHP9341. Epub 2022 Feb 22. Environ Health Perspect. 2022. PMID: 35192406 Free PMC article.

2

Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone.

Braga RC, Alves VM, Fraga CA, Barreiro EJ, de Oliveira V, Andrade CH. Braga RC, et al. J Mol Model. 2012 May;18(5):2065-78. doi: 10.1007/s00894-011-1219-9. Epub 2011 Sep 8. J Mol Model. 2012. PMID: 21901409

3

QSAR and QM/MM approaches applied to drug metabolism prediction.

Braga RC, Andrade CH. Braga RC, et al. Mini Rev Med Chem. 2012 Jun;12(6):573-82. doi: 10.2174/138955712800493807. Mini Rev Med Chem. 2012. PMID: 22587770

4

Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies.

Bueno RV, Toledo NR, Neves BJ, Braga RC, Andrade CH. Bueno RV, et al. Among authors: braga rc. J Mol Model. 2013 Jan;19(1):179-92. doi: 10.1007/s00894-012-1527-8. Epub 2012 Jul 31. J Mol Model. 2013. PMID: 22846924

5

Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches.

Neves BJ, Bueno RV, Braga RC, Andrade CH. Neves BJ, et al. Among authors: braga rc. Bioorg Med Chem Lett. 2013 Apr 15;23(8):2436-41. doi: 10.1016/j.bmcl.2013.02.006. Epub 2013 Feb 13. Bioorg Med Chem Lett. 2013. PMID: 23499236

6

Assessing the performance of 3D pharmacophore models in virtual screening: how good are they?

Braga RC, Andrade CH. Braga RC, et al. Curr Top Med Chem. 2013;13(9):1127-38. doi: 10.2174/1568026611313090010. Curr Top Med Chem. 2013. PMID: 23651486 Review.

7

New tuberculostatic agents targeting nucleic acid biosynthesis: drug design using QSAR approaches.

Bueno RV, Braga RC, Segretti ND, Ferreira EI, Trossini GH, Andrade CH. Bueno RV, et al. Among authors: braga rc. Curr Pharm Des. 2014;20(27):4474-85. doi: 10.2174/1381612819666131118170238. Curr Pharm Des. 2014. PMID: 24245758 Review.

8

Advances in methods for predicting phase I metabolism of polyphenols.

Melo-Filho CC, Braga RC, Andrade CH. Melo-Filho CC, et al. Among authors: braga rc. Curr Drug Metab. 2014 Jan;15(1):120-6. doi: 10.2174/1389200215666140130125339. Curr Drug Metab. 2014. PMID: 24479689 Review.

9

3D-QSAR approaches in drug design: perspectives to generate reliable CoMFA models.

Melo-Filho CC, Braga RC, Andrade CH. Melo-Filho CC, et al. Among authors: braga rc. Curr Comput Aided Drug Des. 2014;10(2):148-59. doi: 10.2174/1573409910666140410111043. Curr Comput Aided Drug Des. 2014. PMID: 24724896

10

Tuning HERG out: antitarget QSAR models for drug development.

Braga RC, Alves VM, Silva MF, Muratov E, Fourches D, Tropsha A, Andrade CH. Braga RC, et al. Curr Top Med Chem. 2014;14(11):1399-415. doi: 10.2174/1568026614666140506124442. Curr Top Med Chem. 2014. PMID: 24805060 Free PMC article.

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