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Items: 1 to 20 of 149

1.

Cyclin-Dependent Kinase 2 in Cellular Senescence and Cancer. A Structural and Functional Review.

Volkart PA, Bitencourt-Ferreira G, Souto AA, de Azevedo WF.

Curr Drug Targets. 2018 Dec 4. doi: 10.2174/1389450120666181204165344. [Epub ahead of print]

PMID:
30516105
2.

Development of a machine-learning model to predict Gibbs free energy of binding for protein-ligand complexes.

Bitencourt-Ferreira G, de Azevedo WF.

Biophys Chem. 2018 Sep;240:63-69. doi: 10.1016/j.bpc.2018.05.010. Epub 2018 Jun 7.

PMID:
29906639
3.

Development of machine learning models to predict inhibition of 3-dehydroquinate dehydratase.

de Ávila MB, de Azevedo WF Jr.

Chem Biol Drug Des. 2018 Aug;92(2):1468-1474. doi: 10.1111/cbdd.13312. Epub 2018 May 18.

PMID:
29676519
4.

Advances in the Understanding of the Cannabinoid Receptor 1 - Focusing on the Inverse Agonists Interactions

Russo S, De Azevedo WF.

Curr Med Chem. 2018 Apr 17. doi: 10.2174/0929867325666180417165247. [Epub ahead of print]

PMID:
29667549
5.

Development of CDK-targeted scoring functions for prediction of binding affinity.

Levin NMB, Pintro VO, Bitencourt-Ferreira G, de Mattos BB, de Castro Silvério A, de Azevedo WF Jr.

Biophys Chem. 2018 Apr;235:1-8. doi: 10.1016/j.bpc.2018.01.004. Epub 2018 Feb 1.

PMID:
29407904
6.

Pre-clinical effects of metformin and aspirin on the cell lines of different breast cancer subtypes.

Amaral MEA, Nery LR, Leite CE, de Azevedo Junior WF, Campos MM.

Invest New Drugs. 2018 Oct;36(5):782-796. doi: 10.1007/s10637-018-0568-y. Epub 2018 Feb 2.

PMID:
29392539
7.

Optimized Virtual Screening Workflow: Towards Target-Based Polynomial Scoring Functions for HIV-1 Protease.

Pintro VO, de Azevedo WF.

Comb Chem High Throughput Screen. 2017;20(9):820-827. doi: 10.2174/1386207320666171121110019.

PMID:
29165067
8.

Supervised machine learning techniques to predict binding affinity. A study for cyclin-dependent kinase 2.

de Ávila MB, Xavier MM, Pintro VO, de Azevedo WF Jr.

Biochem Biophys Res Commun. 2017 Dec 9;494(1-2):305-310. doi: 10.1016/j.bbrc.2017.10.035. Epub 2017 Oct 7.

PMID:
29017921
9.

Supervised Machine Learning Methods Applied to Predict Ligand- Binding Affinity.

Heck GS, Pintro VO, Pereira RR, de Ávila MB, Levin NMB, de Azevedo WF.

Curr Med Chem. 2017;24(23):2459-2470. doi: 10.2174/0929867324666170623092503. Review.

PMID:
28641555
10.

Understanding the Structural Basis for Inhibition of Cyclin-Dependent Kinases. New Pieces in the Molecular Puzzle.

Levin NMB, Pintro VO, de Avila MB, de Mattos BB, De Azevedo WF Jr.

Curr Drug Targets. 2017;18(9):1104-1111. doi: 10.2174/1389450118666161116130155. Review.

PMID:
27848884
11.

SAnDReS a Computational Tool for Statistical Analysis of Docking Results and Development of Scoring Functions.

Xavier MM, Heck GS, Avila MB, Levin NMB, Pintro VO, Carvalho NL, Azevedo WF.

Comb Chem High Throughput Screen. 2016;19(10):801-812. doi: 10.2174/1386207319666160927111347.

PMID:
27686428
12.

Opinion Paper: Targeting Multiple Cyclin-Dependent Kinases (CDKs): A New Strategy for Molecular Docking Studies.

de Azevedo WF.

Curr Drug Targets. 2016;17(1):2. No abstract available.

PMID:
26687602
13.

A lupane-triterpene isolated from Combretum leprosum Mart. fruit extracts that interferes with the intracellular development of Leishmania (L.) amazonensis in vitro.

Teles CB, Moreira-Dill LS, Silva Ade A, Facundo VA, de Azevedo WF Jr, da Silva LH, Motta MC, Stábeli RG, Silva-Jardim I.

BMC Complement Altern Med. 2015 Jun 6;15:165. doi: 10.1186/s12906-015-0681-9.

14.

Shikimate kinase, a protein target for drug design.

Coracini JD, de Azevedo WF Jr.

Curr Med Chem. 2014;21(5):592-604. Review.

PMID:
24164195
15.

Role of Serine140 in the mode of action of Mycobacterium tuberculosis β-ketoacyl-ACP Reductase (MabA).

Rosado LA, Caceres RA, de Azevedo WF Jr, Basso LA, Santos DS.

BMC Res Notes. 2012 Sep 25;5:526. doi: 10.1186/1756-0500-5-526.

16.

Targeting imidazoline site on monoamine oxidase B through molecular docking simulations.

Moraes FP, de Azevedo WF Jr.

J Mol Model. 2012 Aug;18(8):3877-86. doi: 10.1007/s00894-012-1390-7. Epub 2012 Mar 17.

PMID:
22426510
17.

Anti-Trypanosoma cruzi activity of nicotinamide.

Soares MB, Silva CV, Bastos TM, Guimarães ET, Figueira CP, Smirlis D, Azevedo WF Jr.

Acta Trop. 2012 May;122(2):224-9. doi: 10.1016/j.actatropica.2012.01.001. Epub 2012 Jan 18.

18.

Crystal structure and molecular dynamics studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis associated with acyclovir.

Caceres RA, Timmers LF, Ducati RG, da Silva DO, Basso LA, de Azevedo WF Jr, Santos DS.

Biochimie. 2012 Jan;94(1):155-65. doi: 10.1016/j.biochi.2011.10.003. Epub 2011 Oct 20.

19.

Antimalarial activity of physalins B, D, F, and G.

Sá MS, de Menezes MN, Krettli AU, Ribeiro IM, Tomassini TC, Ribeiro dos Santos R, de Azevedo WF Jr, Soares MB.

J Nat Prod. 2011 Oct 28;74(10):2269-72. doi: 10.1021/np200260f. Epub 2011 Sep 28.

PMID:
21954931
20.

Identification of new potential Mycobacterium tuberculosis shikimate kinase inhibitors through molecular docking simulations.

Vianna CP, de Azevedo WF Jr.

J Mol Model. 2012 Feb;18(2):755-64. doi: 10.1007/s00894-011-1113-5. Epub 2011 May 19.

PMID:
21594693

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