Valiente PA - Search Results

1

Polar Desolvation and Position 226 of Pancreatic and Neutrophil Elastases Are Crucial to their Affinity for the Kunitz-Type Inhibitors ShPI-1 and ShPI-1/K13L.

Hernández González JE, García-Fernández R, Valiente PA. Hernández González JE, et al. Among authors: valiente pa. PLoS One. 2015 Sep 15;10(9):e0137787. doi: 10.1371/journal.pone.0137787. eCollection 2015. PLoS One. 2015. PMID: 26372354 Free PMC article.

2

Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor.

García-Fernández R, Pons T, Perbandt M, Valiente PA, Talavera A, González-González Y, Rehders D, Chávez MA, Betzel C, Redecke L. García-Fernández R, et al. Among authors: valiente pa. J Struct Biol. 2012 Nov;180(2):271-9. doi: 10.1016/j.jsb.2012.08.009. Epub 2012 Sep 5. J Struct Biol. 2012. PMID: 22975140

3

Structures of a bi-functional Kunitz-type STI family inhibitor of serine and aspartic proteases: Could the aspartic protease inhibition have evolved from a canonical serine protease-binding loop?

Guerra Y, Valiente PA, Pons T, Berry C, Rudiño-Piñera E. Guerra Y, et al. Among authors: valiente pa. J Struct Biol. 2016 Aug;195(2):259-271. doi: 10.1016/j.jsb.2016.06.014. Epub 2016 Jun 18. J Struct Biol. 2016. PMID: 27329566

4

Disrupting a key hydrophobic pair in the oligomerization interface of the actinoporins impairs their pore-forming activity.

Mesa-Galloso H, Delgado-Magnero KH, Cabezas S, López-Castilla A, Hernández-González JE, Pedrera L, Alvarez C, Peter Tieleman D, García-Sáez AJ, Lanio ME, Ros U, Valiente PA. Mesa-Galloso H, et al. Among authors: valiente pa. Protein Sci. 2017 Mar;26(3):550-565. doi: 10.1002/pro.3104. Epub 2017 Feb 23. Protein Sci. 2017. PMID: 28000294 Free PMC article.

5

Predicting binding modes of reversible peptide-based inhibitors of falcipain-2 consistent with structure-activity relationships.

Hernández González JE, Hernández Alvarez L, Pascutti PG, Valiente PA. Hernández González JE, et al. Among authors: valiente pa. Proteins. 2017 Sep;85(9):1666-1683. doi: 10.1002/prot.25322. Epub 2017 Jun 7. Proteins. 2017. PMID: 28543724

6

Identification of (4-(9H-fluoren-9-yl) piperazin-1-yl) methanone derivatives as falcipain 2 inhibitors active against Plasmodium falciparum cultures.

Hernández-González JE, Salas-Sarduy E, Hernández Ramírez LF, Pascual MJ, Álvarez DE, Pabón A, Leite VBP, Pascutti PG, Valiente PA. Hernández-González JE, et al. Among authors: valiente pa. Biochim Biophys Acta Gen Subj. 2018 Dec;1862(12):2911-2923. doi: 10.1016/j.bbagen.2018.09.015. Epub 2018 Sep 22. Biochim Biophys Acta Gen Subj. 2018. PMID: 30253205 Free article.

7

NMR structure of CmPI-II, a non-classical Kazal protease inhibitor: Understanding its conformational dynamics and subtilisin A inhibition.

Cabrera-Muñoz A, Valiente PA, Rojas L, Alonso-Del-Rivero Antigua M, Pires JR. Cabrera-Muñoz A, et al. Among authors: valiente pa. J Struct Biol. 2019 Jun 1;206(3):280-294. doi: 10.1016/j.jsb.2019.03.011. Epub 2019 Mar 28. J Struct Biol. 2019. PMID: 30930219 Free article.

8

New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes.

Valiente PA, Gil A, Batista PR, Caffarena ER, Pons T, Pascutti PG. Valiente PA, et al. J Comput Chem. 2010 Nov 30;31(15):2723-34. doi: 10.1002/jcc.21566. J Comput Chem. 2010. PMID: 20839299

9

Predicting functional residues of the Solanum lycopersicum aspartic protease inhibitor (SLAPI) by combining sequence and structural analysis with molecular docking.

Guerra Y, Valiente PA, Berry C, Pons T. Guerra Y, et al. Among authors: valiente pa. J Mol Model. 2012 Jun;18(6):2673-87. doi: 10.1007/s00894-011-1290-2. Epub 2011 Nov 20. J Mol Model. 2012. PMID: 22102210

10

Unraveling the binding mechanism of polyoxyethylene sorbitan esters with bovine serum albumin: a novel theoretical model based on molecular dynamic simulations.

Delgado-Magnero KH, Valiente PA, Ruiz-Peña M, Pérez-Gramatges A, Pons T. Delgado-Magnero KH, et al. Among authors: valiente pa. Colloids Surf B Biointerfaces. 2014 Apr 1;116:720-6. doi: 10.1016/j.colsurfb.2013.11.018. Epub 2013 Nov 19. Colloids Surf B Biointerfaces. 2014. PMID: 24309134

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