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Items: 30

1.

Structure-Based and Molecular Modeling Studies for the Discovery of Cyclic Imides as Reversible Cruzain Inhibitors With Potent Anti-Trypanosoma cruzi Activity.

Ferreira RAA, Pauli I, Sampaio TS, de Souza ML, Ferreira LLG, Magalhães LG, Rezende CO Jr, Ferreira RS, Krogh R, Dias LC, Andricopulo AD.

Front Chem. 2019 Nov 25;7:798. doi: 10.3389/fchem.2019.00798. eCollection 2019.

2.

Molecular modeling and structure-activity relationships for a series of benzimidazole derivatives as cruzain inhibitors.

Pauli I, Ferreira LG, de Souza ML, Oliva G, Ferreira RS, Dessoy MA, Slafer BW, Dias LC, Andricopulo AD.

Future Med Chem. 2017 May;9(7):641-657. doi: 10.4155/fmc-2016-0236. Epub 2017 May 16.

PMID:
28509592
3.

Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme.

Martinelli LKB, Rotta M, Villela AD, Rodrigues-Junior VS, Abbadi BL, Trindade RV, Petersen GO, Danesi GM, Nery LR, Pauli I, Campos MM, Bonan CD, de Souza ON, Basso LA, Santos DS.

Sci Rep. 2017 Apr 24;7:46696. doi: 10.1038/srep46696.

4.

Synthesis, biological evaluation, and structure-activity relationships of potent noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents.

Ferreira RS, Dessoy MA, Pauli I, Souza ML, Krogh R, Sales AI, Oliva G, Dias LC, Andricopulo AD.

J Med Chem. 2014 Mar 27;57(6):2380-92. doi: 10.1021/jm401709b. Epub 2014 Mar 3.

PMID:
24533839
5.

Discovery of new inhibitors of Mycobacterium tuberculosis InhA enzyme using virtual screening and a 3D-pharmacophore-based approach.

Pauli I, dos Santos RN, Rostirolla DC, Martinelli LK, Ducati RG, Timmers LF, Basso LA, Santos DS, Guido RV, Andricopulo AD, Norberto de Souza O.

J Chem Inf Model. 2013 Sep 23;53(9):2390-401. doi: 10.1021/ci400202t. Epub 2013 Aug 20.

PMID:
23889525
6.

Timely diagnosis of respiratory tract infections: evaluation of the performance of the Respifinder assay compared to the xTAG respiratory viral panel assay.

Raymaekers M, de Rijke B, Pauli I, Van den Abeele AM, Cartuyvels R.

J Clin Virol. 2011 Dec;52(4):314-6. doi: 10.1016/j.jcv.2011.08.017. Epub 2011 Sep 16.

PMID:
21925937
7.

Conformational changes in 2-trans-enoyl-ACP (CoA) reductase (InhA) from M. tuberculosis induced by an inorganic complex: a molecular dynamics simulation study.

da Costa AL, Pauli I, Dorn M, Schroeder EK, Zhan CG, de Souza ON.

J Mol Model. 2012 May;18(5):1779-90. doi: 10.1007/s00894-011-1200-7. Epub 2011 Aug 12.

PMID:
21833828
8.

Crystal structure and molecular dynamics studies of human purine nucleoside phosphorylase complexed with 7-deazaguanine.

Caceres RA, Timmers LF, Pauli I, Gava LM, Ducati RG, Basso LA, Santos DS, de Azevedo WF Jr.

J Struct Biol. 2010 Mar;169(3):379-88. doi: 10.1016/j.jsb.2009.11.010. Epub 2009 Nov 22.

PMID:
19932753
9.

Analysis of therapeutic benefits of antivenin at different time intervals after experimental envenomation in rabbits by venom of the brown spider (Loxosceles intermedia).

Pauli I, Minozzo JC, da Silva PH, Chaim OM, Veiga SS.

Toxicon. 2009 May;53(6):660-71. doi: 10.1016/j.toxicon.2009.01.033.

PMID:
19673081
10.

Protein-drug interaction studies for development of drugs against Plasmodium falciparum.

de Azevedo WF Jr, Caceres RA, Pauli I, Timmers LF, Barcellos GB, Rocha KB, Soares MB.

Curr Drug Targets. 2009 Mar;10(3):271-8. Review.

PMID:
19275563
11.

Genomic databases and the search of protein targets for protozoan parasites.

Timmers LF, Pauli I, Barcellos GB, Rocha KB, Caceres RA, de Azevedo WF Jr, Soares MB.

Curr Drug Targets. 2009 Mar;10(3):240-5. Review.

PMID:
19275560
12.

Bioinformatics tools for screening of antiparasitic drugs.

de Azevedo WF Jr, Dias R, Timmers LF, Pauli I, Caceres RA, Soares MB.

Curr Drug Targets. 2009 Mar;10(3):232-9. Review.

PMID:
19275559
13.

Molecular modeling and dynamics studies of purine nucleoside phosphorylase from Bacteroides fragilis.

Pauli I, Timmers LF, Caceres RA, Basso LA, Santos DS, de Azevedo WF Jr.

J Mol Model. 2009 Aug;15(8):913-22. doi: 10.1007/s00894-008-0445-2. Epub 2009 Jan 27.

PMID:
19172318
14.

Drug-binding databases.

Timmers LF, Pauli I, Caceres RA, de Azevedo WF Jr.

Curr Drug Targets. 2008 Dec;9(12):1092-9. Review.

PMID:
19128220
15.

Molecular modeling as a tool for drug discovery.

Barcellos GB, Pauli I, Caceres RA, Timmers LF, Dias R, de Azevedo WF Jr.

Curr Drug Targets. 2008 Dec;9(12):1084-91. Review.

PMID:
19128219
16.

Molecular recognition models: a challenge to overcome.

Caceres RA, Pauli I, Timmers LF, de Azevedo WF Jr.

Curr Drug Targets. 2008 Dec;9(12):1077-83. Review.

PMID:
19128218
17.

In silico and in vitro: identifying new drugs.

Pauli I, Timmers LF, Caceres RA, Soares MB, de Azevedo WF Jr.

Curr Drug Targets. 2008 Dec;9(12):1054-61. Review.

PMID:
19128215
18.

Molecular modeling and dynamics studies of Shikimate Kinase from Bacillus anthracis.

Pauli I, Caceres RA, de Azevedo WF Jr.

Bioorg Med Chem. 2008 Sep 1;16(17):8098-108. doi: 10.1016/j.bmc.2008.07.051. Epub 2008 Jul 25.

PMID:
18706819
19.

The efficacy of antivenom in loxoscelism treatment.

Pauli I, Puka J, Gubert IC, Minozzo JC.

Toxicon. 2006 Aug;48(2):123-37. Epub 2006 Jun 30. Review.

PMID:
16808942
20.

Decidual differentiation of stromal cells promotes Proprotein Convertase 5/6 expression and lefty processing.

Tang M, Mikhailik A, Pauli I, Giudice LC, Fazelabas AT, Tulac S, Carson DD, Kaufman DG, Barbier C, Creemers JW, Tabibzadeh S.

Endocrinology. 2005 Dec;146(12):5313-20. Epub 2005 Sep 1.

PMID:
16141390
21.

Limited redundancy of the proprotein convertase furin in mouse liver.

Roebroek AJ, Taylor NA, Louagie E, Pauli I, Smeijers L, Snellinx A, Lauwers A, Van de Ven WJ, Hartmann D, Creemers JW.

J Biol Chem. 2004 Dec 17;279(51):53442-50. Epub 2004 Oct 7.

22.

Dynamic palmitoylation of lymphoma proprotein convertase prolongs its half-life, but is not essential for trans-Golgi network localization.

van de Loo JW, Teuchert M, Pauli I, Plets E, Van de Ven WJ, Creemers JW.

Biochem J. 2000 Dec 15;352 Pt 3:827-33.

23.

Early detection of bacteremia in the neonatal intensive care unit using the new BACTEC system.

Pauli I Jr, Shekhawat P, Kehl S, Sasidharan P.

J Perinatol. 1999 Mar;19(2):127-31.

24.

Failure of ventral closure and axial rotation in embryos lacking the proprotein convertase Furin.

Roebroek AJ, Umans L, Pauli IG, Robertson EJ, van Leuven F, Van de Ven WJ, Constam DB.

Development. 1998 Dec;125(24):4863-76.

25.

cDNA cloning, genomic organization, and expression of the human RTN2 gene, a member of a gene family encoding reticulons.

Roebroek AJ, Contreras B, Pauli IG, Van de Ven WJ.

Genomics. 1998 Jul 1;51(1):98-106.

PMID:
9693037
26.

Genomic organization of the human NSP gene, prototype of a novel gene family encoding reticulons.

Roebroek AJ, Ayoubi TA, Van de Velde HJ, Schoenmakers EF, Pauli IG, Van de Ven WJ.

Genomics. 1996 Mar 1;32(2):191-9.

PMID:
8833145
27.
28.
29.

Cloning and functional expression of Dfurin2, a subtilisin-like proprotein processing enzyme of Drosophila melanogaster with multiple repeats of a cysteine motif.

Roebroek AJ, Creemers JW, Pauli IG, Kurzik-Dumke U, Rentrop M, Gateff EA, Leunissen JA, Van de Ven WJ.

J Biol Chem. 1992 Aug 25;267(24):17208-15.

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