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Please cite the following paper Xavier et al. 2016 when using SAnDReS

Publications                                   

Heck GS, Pintro VO, Pereira RR, de Ávila MB, Levin NMB, de Azevedo WF. Supervised Machine Learning Methods Applied to Predict Ligand-Binding Affinity. Curr Med Chem. 2017 Jun 22. doi: 10.2174/0929867324666170623092503.   PubMed       


Levin NM, Pintro VO, de Ávila MB, de Mattos BB, De Azevedo WF Jr. Understanding the Structural Basis for Inhibition of Cyclin-Dependent Kinases. New Pieces in the Molecular Puzzle. Curr Drug Targets. 2016 Nov 16.  [Epub ahead of print].   Link   PubMed   


Xavier MM, Heck GS, de Avila MB, Levin NM, Pintro VO, Carvalho NL, Azevedo WF Jr. SAnDReS a Computational Tool for Statistical Analysis of Docking Results and Development of Scoring Functions. Comb Chem High Throughput Screen; 2016; 19(10): 801-812.   Link   PubMed   Go To SAnDReS   PDF    


de Azevedo Jr. WF. Meet Our Editorial Board Member Author(s): Walter Filgueira de Azevedo Jr. Curr Bioinform 2016; 11(4):393.   PDF 


de Azevedo Jr. WF. Opinion Paper: Targeting Multiple Cyclin-Dependent Kinases (CDKs): A New Strategy for Molecular Docking Studies. Curr Drug Targets. 2016;17(1):2.   PubMed  PDF  


Teles CB, Moreira-Dill LS, Silva Ade A, Facundo VA, de Azevedo WF Jr., da Silva LH, Motta MC, Stábeli RG, Silva-Jardim I. A lupane-triterpene isolated from Combretum leprosum Mart. fruit extracts that interferes with the intracellular development of Leishmania (L.) amazonensis in vitro. BMC Complement Altern Med. 2015; 15(1):165.   PubMed  


de Avila, MB, de Azevedo, WF. Data Mining of Docking Results. Application to 3-Dehydroquinate Dehydratase. Curr Bioinform 2014; 9(4): 361-79. Link to Journal  PDF 

  

Coracini JD, de Azevedo WF Jr. Shikimate kinase, a protein target for drug design. Curr Med Chem. 2014; 21(5):592-604. PubMed   PDF  

 

Lombardi FR, Anazetti MC, Santos GC, Polizelli PP, Olivieri JR, de Azevedo WF, Bonilla-Rodriguez GO. Oxygen Binding Properties and Tetrameric Stability of Hemoglobins From the Snakes Crotalus Durissus Terrificus and Liophis Miliaris (Chapter 1). Frontiers in Protein and Peptide Sciences 2014; 1, 3-30.   Link to Chapter 


Azevedo LS, Moraes FP, Xavier MM, Pantoja EO, Villavicencio B, Finck JA, Proenca, AM, Rocha, KB, de Azevedo, WF. Recent Progress of Molecular Docking Simulations Applied to Development of Drugs. Curr Bioinform 2012; 7(4): 352-65. Link to Journal   PDF  


Rosado LA, Caceres RA, de Azevedo WF Jr, Basso LA, Santos DS. Role of Serine140 in the mode of action of Mycobacterium tuberculosis ß-ketoacyl-ACP Reductase (MabA). BMC Res Notes. 2012; 5:526. PubMed   PDF   

  

Moraes FP, de Azevedo WF Jr.Targeting imidazoline site on monoamine oxidase B through molecular docking simulations. J Mol Model. 2012; 18(8):3877-86. PubMed   PDF  

   

Soares MB, Silva CV, Bastos TM, Guimarães ET, Figueira CP, Smirlis D, Azevedo WF Jr. Anti-Trypanosoma cruzi activity of nicotinamide. Acta Trop. 2012; 12(2):224-9. PubMed  PDF


Vianna CP, de Azevedo WF Jr. Identification of new potential Mycobacterium tuberculosis shikimate kinase inhibitors through molecular docking simulations. J Mol Model. 2012; 18(2):755-64. PubMed     PDF  


Timmers LF, Ducati RG, Sánchez-Quitian ZA, Basso LA, Santos DS, de Azevedo WF Jr. Combining molecular dynamics and docking simulations of the cytidine deaminase from Mycobacterium tuberculosis H37Rv. J Mol Model. 2012; 18(2):467-79. PubMed  

  

Caceres RA, Timmers LF, Ducati RG, da Silva DO, Basso LA, de Azevedo WF Jr, Santos DS. Crystal structure and molecular dynamics studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis associated with acyclovir. Biochimie. 2012; 94(1):155-65. PubMed


Sá MS, de Menezes MN, Krettli AU, Ribeiro IM, Tomassini TC, Ribeiro dos Santos R, de Azevedo WF Jr, Soares MB. Antimalarial activity of physalins B, D, F, and G. J Nat Prod. 2011; 74(10):2269-72. PubMed


Sánchez-Quitian ZA, Timmers LF, Caceres RA, Rehm JG, Thompson CE, Basso LA, de Azevedo WF Jr, Santos DS. Crystal structure determination and dynamic studies of Mycobacterium tuberculosis Cytidine deaminase in complex with products. Arch Biochem Biophys. 2011; 509(1):108-15. PubMed


Rocha BA, Delatorre P, Oliveira TM, Benevides RG, Pires AF, Sousa AA, Souza LA, Assreuy AM, Debray H, de Azevedo WF Jr, Sampaio AH, Cavada BS. Structural basis for both pro- and anti-inflammatory response induced by mannose-specific legume lectin from Cymbosema roseum. Biochimie. 2011; 93(5):806-16. PubMed


de Azevedo WF Jr. Protein targets for development of drugs against Mycobacterium tuberculosis. Curr Med Chem. 2011; 18(9):1255-7. PubMed  

 

Heberlé G, de Azevedo WF Jr. Bio-inspired algorithms applied to molecular docking simulations. Curr Med Chem. 2011; 18(9):1339-52. PubMed  

 

de Azevedo WF Jr. Molecular dynamics simulations of protein targets identified in Mycobacterium tuberculosis. Curr Med Chem. 2011; 18(9):1353-66. PubMed  


Ducati RG, Basso LA, Santos DS, de Azevedo WF Jr. Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis. Bioorg Med Chem. 2010; 18(13):4769-74. PubMed

 

De Azevedo WF Jr. Structure-based virtual screening. Curr Drug Targets. 2010; 11(3):261-3. PubMed  

 

De Azevedo WF Jr. MolDock applied to structure-based virtual screening. Curr Drug Targets. 2010; 11(3):327-34. PubMed 

 

Hernandes MZ, Cavalcanti SM, Moreira DR, de Azevedo Junior WF, Leite AC. Halogen atoms in the modern medicinal chemistry: hints for the drug design. Curr Drug Targets. 2010; 11(3):303-14. PubMed 

 

Zanchi FB, Caceres RA, Stabeli RG, de Azevedo WF Jr. Molecular dynamics studies of a hexameric purine nucleoside phosphorylase. J Mol Model. 2010; 16(3):543-50. PubMed  


Sánchez-Quitian ZA, Schneider CZ, Ducati RG, de Azevedo WF Jr, Bloch C Jr, Basso LA, Santos DS. Structural and functional analyses of Mycobacterium tuberculosis Rv3315c-encoded metal-dependent homotetrameric cytidine deaminase. J Struct Biol. 2010; 169(3):413-23. PubMed 


Caceres RA, Timmers LF, Pauli I, Gava LM, Ducati RG, Basso LA, Santos DS, de Azevedo WF Jr. Crystal structure and molecular dynamics studies of human purine nucleoside phosphorylase complexed with 7-deazaguanine. J Struct Biol. 2010; 169(3):379-88. PubMed  


Arcuri HA, Zafalon GF, Marucci EA, Bonalumi CE, da Silveira NJ, Machado JM, de Azevedo WF Jr, Palma MS. SKPDB: a structural database of shikimate pathway enzymes. BMC Bioinformatics. 2010; 11:12. PubMed 

 

Ducati RG, Souto AA, Caceres RA, de Azevedo Jr. WF, Basso LA, Santos DS. Purine Nucleoside Phosphorylase as a Molecular Target to Develop Active Compounds Against Mycobacterium Tuberculosis. International Review of Biophysical Chemistry 2010; Vol. 1, N. 1, 34-40.   Link to Chapter  


Pauli I, Timmers LF, Caceres RA, Basso LA, Santos DS, de Azevedo WF Jr. Molecular modeling and dynamics studies of purine nucleoside phosphorylase from Bacteroides fragilis. J Mol Model. 2009; 15(8):913-22. PubMed


Timmers LF, Caceres RA, Dias R, Basso LA, Santos DS, de Azevedo WF Jr. Molecular modeling, dynamics and docking studies of purine nucleoside phosphorylase from Streptococcus pyogenes. Biophys Chem. 2009; 142(1-3):7-16. PubMed  


Rocha BA, Moreno FB, Delatorre P, Souza EP, Marinho ES, Benevides RG, Rustiguel JK, Souza LA, Nagano CS, Debray H, Sampaio AH, de Azevedo WF Jr, Cavada BS. Purification, characterization, and preliminary X-ray diffraction analysis of a lactose-specific lectin from Cymbosema roseum seeds. Appl Biochem Biotechnol. 2009; 152(3):383-93. PubMed 


de Azevedo WF Jr, Caceres RA, Pauli I, Timmers LF, Barcellos GB, Rocha KB, Soares MB. Protein-drug interaction studies for development of drugs against Plasmodium falciparum. Curr Drug Targets. 2009; 10(3):271-8. PubMed  


Timmers LF, Pauli I, Barcellos GB, Rocha KB, Caceres RA, de Azevedo WF Jr, Soares MB. Genomic databases and the search of protein targets for protozoan parasites. Curr Drug Targets. 2009; 10(3):240-5. PubMed  


de Azevedo WF Jr, Dias R, Timmers LF, Pauli I, Caceres RA, Soares MB. Bioinformatics tools for screening of antiparasitic drugs. Curr Drug Targets. 2009; 10(3):232-9. PubMed  


de Azevedo WF Jr, Soares MB. Selection of targets for drug development against protozoan parasites. Curr Drug Targets. 2009; 10(3):193-201. PubMed


Perez PC, Caceres RA, Canduri F, de Azevedo WF Jr. Molecular modeling and dynamics simulation of human cyclin-dependent kinase 3 complexed with inhibitors. Comput Biol Med. 2009; 39(2):130-40. PubMed


Barcellos GB, Caceres RA, de Azevedo WF Jr. Structural studies of shikimate dehydrogenase from Bacillus anthracis complexed with cofactor NADP. J Mol Model. 2009; 15(2):147-55. PubMed


Vivan AL, Caceres RA, Basso LA, Santos DS; Walter F. de Azevedo Jr. Structural studies of PNP from Toxoplasma gondii. Int J Bioinform Res Appl. 2009; 5(2):154-62. PubMed  

 

Timmers LF, Pauli I, Caceres RA, de Azevedo WF Jr. Drug-binding databases. Curr Drug Targets. 2008; 9(12):1092-9. PubMed

 

Barcellos GB, Pauli I, Caceres RA, Timmers LF, Dias R, de Azevedo WF Jr. Molecular modeling as a tool for drug discovery. Curr Drug Targets. 2008; 9(12):1084-91. PubMed

 

Caceres RA, Pauli I, Timmers LF, de Azevedo WF Jr. Molecular recognition models: a challenge to overcome. Curr Drug Targets. 2008; 9(12):1077-83. PubMed

 

de Azevedo WF Jr, Dias R. Experimental approaches to evaluate the thermodynamics of protein-drug interactions. Curr Drug Targets. 2008; 9(12):1071-6. PubMed

 

Dias R, Timmers LF, Caceres RA, de Azevedo WF Jr. Evaluation of molecular docking using polynomial empirical scoring functions. Curr Drug Targets. 2008; 9(12):1062-70. PubMed

 

Pauli I, Timmers LF, Caceres RA, Soares MB, de Azevedo WF Jr. In silico and in vitro: identifying new drugs. Curr Drug Targets. 2008; 9(12):1054-61. PubMed

 

Canduri F, de Azevedo WF. Protein crystallography in drug discovery. Curr Drug Targets. 2008; 9(12):1048-53. PubMed

 

Dias R, de Azevedo WF Jr. Molecular docking algorithms. Curr Drug Targets. 2008; 9(12):1040-7. PubMed

 

de Azevedo WF Jr, Dias R. Computational methods for calculation of ligand-binding affinity. Curr Drug Targets. 2008; 9(12):1031-9. PubMed

 

de Azevedo WF Jr. Protein-drug interactions. Curr Drug Targets. 2008; 9(12):1030. PubMed

 

Arcuri HA, Apponi LH, Valentini SR, Durigon EL, de Azevedo WF Jr, Fossey MA, Rahal P, de Souza FP. Expression and purification of human respiratory syncytial virus recombinant fusion protein. Protein Expr Purif. 2008; 62(2):146-52. PubMed  


Timmers LF, Caceres RA, Vivan AL, Gava LM, Dias R, Ducati RG, Basso LA, Santos DS, de Azevedo WF Jr. Structural studies of human purine nucleoside phosphorylase: towards a new specific empirical scoring function. Arch Biochem Biophys. 2008 ; 479(1):28-38. PubMed  


de Oliveira TM, Delatorre P, da Rocha BA, de Souza EP, Nascimento KS, Bezerra GA, Moura TR, Benevides RG, Bezerra EH, Moreno FB, Freire VN, de Azevedo WF Jr, Cavada BS. Crystal structure of Dioclea rostrata lectin: insights into understanding the pH-dependent dimer-tetramer equilibrium and the structural basis for carbohydrate recognition in Diocleinae lectins. J Struct Biol. 2008; 164(2):177-82. PubMed  


de Azevedo WF Jr, Dias R. Evaluation of ligand-binding affinity using polynomial empirical scoring functions. Bioorg Med Chem. 2008; 16(20):9378-82. PubMed


Pauli I, Caceres RA, de Azevedo WF Jr. Molecular modeling and dynamics studies of Shikimate Kinase from Bacillus anthracis. Bioorg Med Chem. 2008; 16(17):8098-108. PubMed    


Vivan AL, Caceres RA, Abrego JR, Borges JC, Ruggiero Neto J, Ramos CH, de Azevedo WF Jr, Basso LA, Santos DS. Structural studies of prephenate dehydratase from Mycobacterium tuberculosis H37Rv by SAXS, ultracentrifugation, and computational analysis. Proteins. 2008; 72(4):1352-62. PubMed  


Arcuri HA, Borges JC, Fonseca IO, Pereira JH, Neto JR, Basso LA, Santos DS, de Azevedo WF Jr. Structural studies of shikimate 5-dehydrogenase from Mycobacterium tuberculosis. Proteins. 2008; 72(2):720-30. PubMed  


Marques MR, Vaso A, Neto JR, Fossey MA, Oliveira JS, Basso LA, dos Santos DS, de Azevedo Junior WF, Palma MS. Dynamics of glyphosate-induced conformational changes of Mycobacterium tuberculosis 5-enolpyruvylshikimate-3-phosphate synthase (EC 2.5.1.19) determined by hydrogen-deuterium exchange and electrospray mass spectrometry. Biochemistry. 2008; 47(28):7509-22. PubMed  


Caceres RA, Saraiva Timmers LF, Dias R, Basso LA, Santos DS, de Azevedo WF Jr. Molecular modeling and dynamics simulations of PNP from Streptococcus agalactiae.Bioorg Med Chem. 2008; 16(9):4984-93. PubMed  


Caceres RA, Macedo Timmers LF, Vivan AL, Schneider CZ, Basso LA, De Azevedo WF Jr, Santos DS. Molecular modeling and dynamics studies of cytidylate kinase from Mycobacterium tuberculosis H37Rv. J Mol Model. 2008; 14(5):427-34. PubMed  


Canduri F, Perez PC, Caceres RA, de Azevedo WF Jr. CDK9 a potential target for drug development. Med Chem. 2008; 4(3):210-8. PubMed  


Moreno FB, de Oliveira TM, Martil DE, Viçoti MM, Bezerra GA, Abrego JR, Cavada BS, Filgueira de Azevedo W Jr. Identification of a new quaternary association for legume lectins. J Struct Biol. 2008; 161(2):133-43. PubMed  


Timmers LF, Caceres RA, Basso LA, Santos DS, De Azevedo WF Jr. Structural bioinformatics study of PNP from Listeria monocytogenes. Protein Pept Lett. 2008;15(8):843-9. PubMed


Breda A, Basso LA, Santos DS, de Azevedo Jr WF. Virtual Screening of Drugs: Score Functions, Docking, and Drug Design. Current Computer Aided-Drug Design 2008; 4(4), 265-72.   Link to Journal  


Bezerra GA, Oliveira TM, Moreno FB, de Souza EP, da Rocha BA, Benevides RG, Delatorre P, de Azevedo WF Jr, Cavada BS. Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: new insights into the understanding of the structure-biological activity relationship in legume lectins. J Struct Biol. 2007; 160(2):168-76. PubMed    


Dias MV, Vasconcelos IB, Prado AM, Fadel V, Basso LA, de Azevedo WF Jr, Santos DS. Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis. J Struct Biol. 2007; 159(3):369-80. PubMed  

 

Delatorre P, Rocha BA, Souza EP, Oliveira TM, Bezerra GA, Moreno FB, Freitas BT, Santi-Gadelha T, Sampaio AH, Azevedo WF Jr, Cavada BS. Structure of a lectin from Canavalia gladiata seeds: new structural insights for old molecules. BMC Struct Biol. 2007; 7:52. PubMed    


Pereira JH, Vasconcelos IB, Oliveira JS, Caceres RA, de Azevedo WF Jr, Basso LA, Santos DS. Shikimate kinase: a potential target for development of novel antitubercular agents. Curr Drug Targets. 2007; 8(3):459-68. PubMed    


Marques MR, Pereira JH, Oliveira JS, Basso LA, de Azevedo WF Jr, Santos DS, Palma MS. The inhibition of 5-enolpyruvylshikimate-3-phosphate synthase as a model for development of novel antimicrobials. Curr Drug Targets. 2007; 8(3):445-57. PubMed    


Dias MV, Ely F, Palma MS, de Azevedo WF Jr, Basso LA, Santos DS. Chorismate synthase: an attractive target for drug development against orphan diseases. Curr Drug Targets. 2007; 8(3):437-44. PubMed  


Canduri F, Perez PC, Caceres RA, de Azevedo WF Jr. Protein kinases as targets for antiparasitic chemotherapy drugs. Curr Drug Targets. 2007; 8(3):389-98. PubMed  


Dias MV, Faím LM, Vasconcelos IB, de Oliveira JS, Basso LA, Santos DS, de Azevedo WF Jr. Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007; 63(Pt 1):1-6. PubMed  


da Silveira NJF, Bonalumi, CE, Arcuri HA, de Azevedo Jr., WF. Molecular Modeling Databases: A New Way in the Search of Proteins Targets for Drug Development. Curr Bioinform 2007; 2(1): 1-10. Link to Journal   


Moreno FB, Bezerra GA, de Oliveira TM, de Souza EP, da Rocha BA, Benevides RG, Delatorre P, Cavada BS, de Azevedo WF Jr. New crystal forms of Diocleinae lectins in the presence of different dimannosides. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006; 62(Pt 11):1100-3. PubMed  


Krystof V, Cankar P, Frysová I, Slouka J, Kontopidis G, Dzubák P, Hajdúch M, Srovnal J, de Azevedo WF Jr, Orság M, Paprskárová M, Rolcík J, Látr A, Fischer PM, Strnad M. 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. J Med Chem. 2006; 49(22):6500-9. PubMed  


Cavada BS, Moreno FB, da Rocha BA, de Azevedo WF Jr, Castellón RE, Goersch GV, Nagano CS, de Souza EP, Nascimento KS, Radis-Baptista G, Delatorre P, Leroy Y, Toyama MH, Pinto VP, Sampaio AH, Barettino D, Debray H, Calvete JJ, Sanz L. cDNA cloning and 1.75 A crystal structure determination of PPL2, an endochitinase and N-acetylglucosamine-binding hemagglutinin from Parkia platycephala seeds. FEBS J. 2006; 273(17):3962-74. PubMed  


Borges JC, Pereira JH, Vasconcelos IB, dos Santos GC, Olivieri JR, Ramos CH, Palma MS, Basso LA, Santos DS, de Azevedo WF Jr. Phosphate closes the solution structure of the 5-enolpyruvylshikimate-3-phosphate synthase (EPSPS) from Mycobacterium tuberculosis. Arch Biochem Biophys. 2006; 452(2):156-64. PubMed  


Moreno FB, Martil DE, Cavada BS, de Azevedo WF Jr. Crystallization and preliminary X-ray diffraction analysis of an anti-H(O) lectin from Lotus tetragonolobus seeds. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006; 62(Pt 7):680-3. PubMed  


Lombardi FR, Anazetti MC, Santos GC, Olivieri JR, de Azevedo WF Jr, Bonilla-Rodriguez GO. Rattlesnake hemoglobins: Functional properties and tetrameric stability. Protein Pept Lett. 2006; 13(5):517-23. PubMed  


Rádis-Baptista G, Moreno FB, de Lima Nogueira L, Martins AM, de Oliveira Toyama D, Toyama MH, Cavada BS, de Azevedo WF Jr, Yamane T. Crotacetin, a novel snake venom C-type lectin homolog of convulxin, exhibits an unpredictable antimicrobial activity. Cell Biochem Biophys. 2006; 44(3):412-23. PubMed  


de Azevedo WF Jr, Canduri F, Basso LA, Palma MS, Santos DS. Determining the structural basis for specificity of ligands using crystallographic screening. Cell Biochem Biophys. 2006; 44(3):405-11. PubMed  


Dias MV, Canduri F, da Silveira NJ, Czekster CM, Basso LA, Palma MS, Santos DS, de Azevedo WF Jr. Molecular models of tryptophan synthase from mycobacterium tuberculosis complexed with inhibitors. Cell Biochem Biophys. 2006; 44(3):375-84. PubMed  


da Silveira NJ, Bonalumi CE, Uchõa HB, Pereira JH, Canduri F, de Azevedo WF. DBMODELING: a database applied to the study of protein targets from genome projects. Cell Biochem Biophys. 2006; 44(3):366-74. PubMed  


Delatorre P, Rocha BA, Gadelha CA, Santi-Gadelha T, Cajazeiras JB, Souza EP, Nascimento KS, Freire VN, Sampaio AH, Azevedo WF Jr, Cavada BS. Crystal structure of a lectin from Canavalia maritima (ConM) in complex with trehalose and maltose reveals relevant mutation in ConA-like lectins. J Struct Biol. 2006; 154(3):280-6. PubMed  


Oliveira JS, Pereira JH, Canduri F, Rodrigues NC, de Souza ON, de Azevedo WF Jr, Basso LA, Santos DS. Crystallographic and pre-steady-state kinetics studies on binding of NADH to wild-type and isoniazid-resistant enoyl-ACP(CoA) reductase enzymes from Mycobacterium tuberculosis. J Mol Biol. 2006; 359(3):646-66. PubMed  


Vivan AL, Dias MV, Schneider CZ, de Azevedo WF Jr, Basso LA, Santos DS. Crystallization and preliminary X-ray diffraction analysis of prephenate dehydratase from Mycobacterium tuberculosis H37Rv. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006; 62(Pt 4):357-60. PubMed  


Leopoldino AM, Canduri F, Cabral H, Junqueira M, de Marqui AB, Apponi LH, da Fonseca IO, Domont GB, Santos DS, Valentini S, Bonilla-Rodriguez GO, Fossey MA, de Azevedo WF Jr, Tajara EH. Expression, purification, and circular dichroism analysis of human CDK9. Protein Expr Purif. 2006; 47(2):614-20. PubMed  


Cavada BS, Marinho ES, Souza EP, Benevides RG, Delatorre P, Souza LA, Nascimento KS, Sampaio AH, Moreno FB, Rustiguel JK, Canduri F, de Azevedo WF Jr, Debray H. Purification, partial characterization and preliminary X-ray diffraction analysis of a mannose-specific lectin from Cymbosema roseum seeds. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006; 62(Pt 3):235-7. PubMed  


Cavada BS, Castellón RE, Vasconcelos GG, Rocha BA, Bezerra GA, Debray H, Delatorre P, Nagano CS, Toyama M, Pinto VP, Moreno FB, Canduri F, Azevedo WF Jr. Crystallization and preliminary X-ray diffraction analysis of a new chitin-binding protein from Parkia platycephala seeds. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005; 61(Pt 9):841-3. PubMed  


Gadelha CA, Moreno FB, Santi-Gadelha T, Cajazeiras JB, Rocha BA, Rustiguel JK, Freitas BT, Canduri F, Delatorre P, Azevedo WF Jr, Cavada BS. Crystallization and preliminary X-ray diffraction analysis of a lectin from Canavalia maritima seeds. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005; 61(Pt 1):87-9. PubMed  


Dias MV, Borges JC, Ely F, Pereira JH, Canduri F, Ramos CH, Frazzon J, Palma MS, Basso LA, Santos DS, de Azevedo WF Jr. Structure of chorismate synthase from Mycobacterium tuberculosis. J Struct Biol. 2006; 154(2):130-43. PubMed      


Gadelha CA, Moreno FB, Santi-Gadelha T, Cajazeiras JB, Rocha BA, Assreuy AM, Lima Mota MR, Pinto NV, Passos Meireles AV, Borges JC, Freitas BT, Canduri F, Souza EP, Delatorre P, Criddle DN, de Azevedo WF Jr, Cavada BS. Native crystal structure of a nitric oxide-releasing lectin from the seeds of Canavalia maritima. J Struct Biol. 2005; 152(3):185-94.   PubMed  


Basso LA, da Silva LH, Fett-Neto AG, de Azevedo WF Jr, Moreira Ide S, Palma MS, Calixto JB, Astolfi Filho S, dos Santos RR, Soares MB, Santos DS. The use of biodiversity as source of new chemical entities against defined molecular targets for treatment of malaria, tuberculosis, and T-cell mediated diseases--a review. Mem Inst Oswaldo Cruz. 2005; 100(6):475-506.   PubMed  


Fadel V, Bettendorff P, Herrmann T, de Azevedo WF Jr, Oliveira EB, Yamane T, Wüthrich K. Automated NMR structure determination and disulfide bond identification of the myotoxin crotamine from Crotalus durissus terrificus. Toxicon. 2005; 46(7):759-67.   PubMed  


Silva RG, Pereira JH, Canduri F, de Azevedo WF Jr, Basso LA, Santos DS. Kinetics and crystal structure of human purine nucleoside phosphorylase in complex with 7-methyl-6-thio-guanosine. Arch Biochem Biophys. 2005; 442(1):49-58.   PubMed  


Manhani KK, Arcuri HA, da Silveira NJ, Uchôa HB, de Azevedo WF Jr, Canduri F. Molecular models of protein kinase 6 from Plasmodium falciparum. J Mol Model. 2005; 12(1):42-8.   PubMed  


Canduri F, Silva RG, dos Santos DM, Palma MS, Basso LA, Santos DS, de Azevedo WF Jr. Structure of human PNP complexed with ligands. Acta Crystallogr D Biol Crystallogr. 2005; 61(Pt 7):856-62.   PubMed  


Silveira NJ, Uchôa HB, Pereira JH, Canduri F, Basso LA, Palma MS, Santos DS, de Azevedo WF Jr. Molecular models of protein targets from Mycobacterium tuberculosis. J Mol Model. 2005; 11(2):160-6.   PubMed  


da Silveira NJ, Arcuri HA, Bonalumi CE, de Souza FP, Mello IM, Rahal P, Pinho JR, de Azevedo WF Jr. Molecular models of NS3 protease variants of the Hepatitis C virus. BMC Struct Biol. 2005; 5:1.   PubMed  


Canduri F, Fadel V, Basso LA, Palma MS, Santos DS, de Azevedo WF Jr. New catalytic mechanism for human purine nucleoside phosphorylase. Biochem Biophys Res Commun. 2005; 327(3):646-9.   PubMed  


Canduri F, Fadel V, Dias MV, Basso LA, Palma MS, Santos DS, de Azevedo WF Jr. Crystal structure of human PNP complexed with hypoxanthine and sulfate ion. Biochem Biophys Res Commun. 2005; 326(2):335-8.   PubMed  


Pereira JH, de Oliveira JS, Canduri F, Dias MV, Palma MS, Basso LA, Santos DS, de Azevedo WF Jr. Structure of shikimate kinase from Mycobacterium tuberculosis reveals the binding of shikimic acid. Acta Crystallogr D Biol Crystallogr. 2004; 60(Pt 12 Pt 2): 2310-9.   PubMed  


Ribeiro SP, Mendes MA, Dos Santos LD, de Souza BM, Marques MR, de Azevedo WF Jr, Palma MS. Structural and functional characterization of N-terminally blocked peptides isolated from the venom of the social wasp Polybia paulista. Peptides. 2004; 25(12): 2069-78.   PubMed  


Uchôa HB, Jorge GE, Freitas Da Silveira NJ, Camera JC Jr, Canduri F, De Azevedo WF Jr. Parmodel: a web server for automated comparative modeling of proteins. Biochem Biophys Res Commun. 2004; 325(4): 1481-6.   PubMed  


Peres P, Lombardi FR, Dos Santos GC, Olivieri JR, Canduri F, Bonilla-Rodriguez GO, de Azevedo WF Jr. Molecular modeling and small angle X-ray scattering studies of Hoplosternum littorale cathodic haemoglobin. Biochem Biophys Res Commun. 2004; 325(2): 487-93.   PubMed  


Peres P, de Azevedo Júnior WF, Bonilla-Rodriguez GO. Allosteric water and phosphate effects in Hoplosternum littorale hemoglobins. Eur J Biochem. 2004; 271(21): 4270-4.   PubMed  


Dias MV, Ely F, Canduri F, Pereira JH, Frazzon J, Basso LA, Palma MS, de Azevedo WF Jr, Santos DS. Crystallization and preliminary X-ray crystallographic analysis of chorismate synthase from Mycobacterium tuberculosis. Acta Crystallogr D Biol Crystallogr. 2004; 60(Pt 11): 2003-5.   PubMed  


Nolasco DO, Canduri F, Pereira JH, Cortinóz JR, Palma MS, Oliveira JS, Basso LA, de Azevedo WF Jr, Santos DS. Crystallographic structure of PNP from Mycobacterium tuberculosis at 1.9A resolution. Biochem Biophys Res Commun. 2004; 324(2): 789-94.   PubMed  


Canduri F, Uchoa HB, de Azevedo WF Jr. Molecular models of cyclin-dependent kinase 1 complexed with inhibitors. Biochem Biophys Res Commun. 2004; 324(2): 661-6.   PubMed  


dos Santos Cabrera MP, de Souza BM, Fontana R, Konno K, Palma MS, de Azevedo WF Jr, Neto JR. Conformation and lytic activity of eumenine mastoparan: a new antimicrobial peptide from wasp venom. J Pept Res. 2004; 64(3): 95-103.   PubMed  


Canduri F, dos Santos DM, Silva RG, Mendes MA, Basso LA, Palma MS, de Azevedo WF, Santos DS. Structures of human purine nucleoside phosphorylase complexed with inosine and ddI. Biochem Biophys Res Commun. 2004; 313(4): 907-14.   PubMed    


Sforça ML, Oyama S Jr, Canduri F, Lorenzi CC, Pertinhez TA, Konno K, Souza BM, Palma MS, Ruggiero Neto J, Azevedo WF Jr, Spisni A. How C-terminal carboxyamidation alters the biological activity of peptides from the venom of the eumenine solitary wasp. Biochemistry. 2004; 43(19): 5608-17.   PubMed  


Arcuri HA, Canduri F, Pereira JH, da Silveira NJ, Camera Júnior JC, de Oliveira JS, Basso LA, Palma MS, Santos DS, de Azevedo Júnior WF. Molecular models for shikimate pathway enzymes of Xylella fastidiosa. Biochem Biophys Res Commun. 2004; 320(3): 979-91.   PubMed  


Moreno FB, Delatorre P, Freitas BT, Rocha BA, Souza EP, Facó F, Canduri F, Cardoso AL, Freire VN, Lima Filho JL, Sampaio AH, Calvete JJ, De Azevedo WF Jr, Cavada BS. Crystallization and preliminary X-ray diffraction analysis of the lectin from Canavalia gladiata seeds. Acta Crystallogr D Biol Crystallogr. 2004; 60(Pt 8): 1493-5.    PubMed  


da Silveira NJ, Uchôa HB, Canduri F, Pereira JH, Camera JC Jr, Basso LA, Palma MS, Santos DS, de Azevedo WF Jr. Structural bioinformatics study of PNP from Schistosoma mansoni. Biochem Biophys Res Commun. 2004; 322(1): 100-4.   PubMed  


de Azevedo WF Jr, Canduri F, dos Santos DM, Pereira JH, Bertacine Dias MV, Silva RG, Mendes MA, Basso LA, Palma MS, Santos DS. Crystal structure of human PNP complexed with guanine. Biochem Biophys Res Commun. 2003; 312(3): 767-72.   PubMed  


Pereira JH, Canduri F, de Oliveira JS, da Silveira NJ, Basso LA, Palma MS, de Azevedo WF Jr, Santos DS. Structural bioinformatics study of EPSP synthase from Mycobacterium tuberculosis. Biochem Biophys Res Commun. 2003; 312(3): 608-14.   PubMed  


Fadel V, Canduri F, Olivieri JR, Smarra AL, Colombo MF, Bonilla-Rodriguez GO, de Azevedo WF Jr. Crystal structure of hemoglobin from the maned wolf (Chrysocyon brachyurus) using synchrotron radiation. Protein Pept Lett. 2003; 10(6):551-9.   PubMed  


Filgueira de Azevedo W Jr, dos Santos GC, dos Santos DM, Olivieri JR, Canduri F, Silva RG, Basso LA, Renard G, da Fonseca IO, Mendes MA, Palma MS, Santos DS. Docking and small angle X-ray scattering studies of purine nucleoside phosphorylase. Biochem Biophys Res Commun. 2003; 309(4): 923-8.   PubMed  


Filgueira de Azevedo W Jr, Canduri F, Marangoni dos Santos D, Pereira JH, Dias MV, Silva RG, Mendes MA, Basso LA, Palma MS, Santos DS. Structural basis for inhibition of human PNP by immucillin-H. Biochem Biophys Res Commun. 2003; 309(4): 917-22.   PubMed  


dos Santos DM, Canduri F, Pereira JH, Vinicius Bertacine Dias M, Silva RG, Mendes MA, Palma MS, Basso LA, de Azevedo WF Jr, Santos DS. Crystal structure of human purine nucleoside phosphorylase complexed with acyclovir. Biochem Biophys Res Commun. 2003; 308(3): 553-9.   PubMed  


de Azevedo WF Jr, Canduri F, dos Santos DM, Silva RG, de Oliveira JS, de Carvalho LP, Basso LA, Mendes MA, Palma MS, Santos DS. Crystal structure of human purine nucleoside phosphorylase at 2.3A resolution. Biochem Biophys Res Commun. 2003; 308(3): 545-52.   PubMed  


Fonseca JC, Honda RT, Delatorre P, Fadel V, Bonilla-Rodriguez GO, de Azevedo WF Jr. Crystallization, preliminary X-ray analysis and molecular-replacement solution of haemoglobin-II from the fish matrinxã (Brycon cephalus). Acta Crystallogr D Biol Crystallogr. 2003; 59(Pt 4): 752-4.   PubMed  


Filgueira de Azevedo W Jr, Gaspar RT, Canduri F, Camera JC Jr, Freitas da Silveira NJ. Molecular model of cyclin-dependent kinase 5 complexed with roscovitine. Biochem Biophys Res Commun. 2002; 297(5): 1154-8.   PubMed  


Filgueira de Azevedo W Jr, Canduri F, Simões de Oliveira J, Basso LA, Palma MS, Pereira JH, Santos DS. Molecular model of shikimate kinase from Mycobacterium tuberculosis. Biochem Biophys Res Commun. 2002; 295(1): 142-8.   PubMed  


de Azevedo WF Jr, Canduri F, da Silveira NJ. Structural basis for inhibition of cyclin-dependent kinase 9 by flavopiridol. Biochem Biophys Res Commun. 2002; 293(1): 566-71.   PubMed  


Konno K, Hisada M, Fontana R, Lorenzi CC, Naoki H, Itagaki Y, Miwa A, Kawai N, Nakata Y, Yasuhara T, Ruggiero Neto J, de Azevedo WF Jr, Palma MS, Nakajima T. Anoplin, a novel antimicrobial peptide from the venom of the solitary wasp Anoplius samariensis. Biochim Biophys Acta. 2001; 1550(1): 70-80.   PubMed  


Canduri F, Teodoro LG, Fadel V, Lorenzi CC, Hial V, Gomes RA, Neto JR, de Azevedo WF Jr. Structure of human uropepsin at 2.45 A resolution. Acta Crystallogr D Biol Crystallogr. 2001; 57(Pt 11): 1560-70.    PubMed  


de Azevedo WF Jr, Canduri F, Fadel V, Teodoro LG, Hial V, Gomes RA. Molecular model for the binary complex of uropepsin and pepstatin. Biochem Biophys Res Commun. 2001; 287(1): 277-81.   PubMed   


Delatorre P, Smarra AL, Fadel V, Canduri F, Dellamano M, Bonilla-Rodriguez GO, de Azevedo WF Jr. Purification, crystallization and Patterson search of haemoglobin IV from the armoured catfish Liposarcus anisitsi. Acta Crystallogr D Biol Crystallogr. 2001; 57(Pt 9): 1329-31.    PubMed   


Delatorre P, Olivieri JR, Ruggiero Neto J, Lorenzi CC, Canduri F, Fadel V, Konno K, Palma MS, Yamane T, de Azevedo WF Jr. Preliminary cryocrystallography analysis of an eumenine mastoparan toxin isolated from the venom of the wasp Anterhynchium flavomarginatum micado. Biochim Biophys Acta. 2001; 1545(1-2): 372-6.   PubMed  


Honda RT, Delatorre P, Fadel V, Canduri F, Dellamano M, de Azevedo WF Jr, Bonilla-Rodriguez GO. Crystallization, preliminary X-ray analysis and molecular-replacement solution of the carboxy form of haemoglobin I from the fish Brycon cephalus. Acta Crystallogr D Biol Crystallogr. 2000; 56(Pt 12): 1685-7.   PubMed  


Canduri F, Delatorre P, Fadel V, Lorenzi CC, Pereira JH, Olivieri JR, Ruggiero Neto J, Konno K, Palma MS, Yamane T, de Azevedo WF Jr. Crystallization and preliminary X-ray diffraction analysis of a eumenine mastoparan toxin: a new class of mast-cell degranulating peptide in the wasp venom. Acta Crystallogr D Biol Crystallogr. 2000; 56(Pt 11): 1434-6.   PubMed    


Smarra AL, de Azevedo WF Jr, Fadel V, Delatorre P, Dellamano M, Colombo MF, Bonilla-Rodriguez GO. Purification, crystallization and preliminary X-ray analysis of haemoglobin I from the armoured catfish Liposarcus anisitsi. Acta Crystallogr D Biol Crystallogr. 2000; 56(Pt 4): 495-7.   PubMed  


Fadel V, Honda RT, Dellamano M, Smarra AL, Delatorre P, Olivieri JR, Bonilla-Rodriguez GO, de Azevedo WF Jr. Purification, crystallization and preliminary x-ray diffraction analysis of carboxyhaemoglobin-II from the fish Piaractus mesopotamicus (pacu). Acta Crystallogr D Biol Crystallogr. 2000; 56(Pt 3): 366-7.   PubMed  


Seixas FA, de Azevedo WF Jr, Colombo MF. Crystallization and x-ray diffraction data analysis of human deoxyhaemoglobin A(0) fully stripped of any anions. Acta Crystallogr D Biol Crystallogr. 1999; 55(Pt 11): 1914-6.   PubMed  


Smarra AL, Fadel V, Dellamano M, Olivieri JR, de Azevedo WF Jr, Bonilla-Rodriguez GO. Crystallization, preliminary X-ray diffraction analysis and Patterson search of oxyhaemoglobin I from the wolf (Chrysocyon brachiurus). Acta Crystallogr D Biol Crystallogr. 1999; 55(Pt 9): 1618-9.   PubMed  


de Azevedo WF Jr, Ward RJ, Gutiérrez JM, Arni RK. Structure of a Lys49-phospholipase A2 homologue isolated from the venom of Bothrops nummifer (jumping viper). Toxicon. 1999; 37(2): 371-84.   PubMed       


Ward RJ, de Azevedo WF Jr, Arni RK. At the interface: crystal structures of phospholipases A2. Toxicon. 1998; 36(11): 1623-33.   PubMed  


Canduri F, Teodoro LG, Lorenzi CC, Gomes RA, Fontes MR, Arni RK, de Azevedo Júnior WF. Crystallization, preliminary X-ray analysis and Patterson search of a new aspartic protease isolated from human urine. Biochem Mol Biol Int. 1998; 46(2): 355-63.   PubMed  


de Azevedo WF Jr, Ward RJ, Canduri F, Soares A, Giglio JR, Arni RK. Crystal structure of piratoxin-I: a calcium-independent, myotoxic phospholipase A2-homologue from Bothrops pirajai venom. Toxicon. 1998; 36(10): 1395-406.   PubMed   


Canduri F, Ward RJ, de Azevedo Júnior WF, Gomes RA, Arni RK. Purification and partial characterization of cathepsin D from porcine (Sus scrofa) liver using affinity chromatography. Biochem Mol Biol Int. 1998; 45(4): 797-803.   PubMed   


da Silva Giotto MT, Garratt RC, Oliva G, Mascarenhas YP, Giglio JR, Cintra AC, de Azevedo WF Jr, Arni RK, Ward RJ. Crystallographic and spectroscopic characterization of a molecular hinge: conformational changes in bothropstoxin I, a dimeric Lys49-phospholipase A2 homologue. Proteins. 1998; 30(4):442-54   PubMed     


De Azevedo WF, Leclerc S, Meijer L, Havlicek L, Strnad M, Kim SH. Inhibition of cyclin-dependent kinases by purine analogues: crystal structure of human cdk2 complexed with roscovitine. Eur J Biochem. 1997; 243(1-2): 518-26.   PubMed   


De Azevedo WF Jr, Mueller-Dieckmann HJ, Schulze-Gahmen U, Worland PJ, Sausville E, Kim SH. Structural basis for specificity and potency of a flavonoid inhibitor of human CDK2, a cell cycle kinase. Proc Natl Acad Sci U S A. 1996; 93(7): 2735-40.   PubMed   


Kim SH, Schulze-Gahmen U, Brandsen J, de Azevedo Júnior WF. Structural basis for chemical inhibition of CDK2. Prog Cell Cycle Res; 2: 137-45.   PubMed