Cristian Obiol-Pardo

Name: Cristian Obiol-Pardo  
Status: PhD (2008) 
*Research Area: Computational Chemistry*

Protein-Protein Interactions, Molecular Dynamics

Homology Modeling, Virtual Screening, QSAR/QSPR

Apoptosis Pathway, Pentose Phosphate Pathway, MEP Pathway

Potassium Channels (hERG), In silico Toxicology


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(16)-Granadino-Roldán J.M., Obiol-Pardo C., Pinto M., Garzón A., Rubio-Martínez J. Molecular dynamics between the human BCL6 BTB domain and its SMRT, NcoR and BCOR corepressors: The quest for a consensus dynamic pharmacophore.
J. Mol. Graph. Model. 50, 142-151 (2014).

(15)-Obiol-Pardo C., Alcarraz-Vizán G., Díaz-Moralli S., Cascante M., Rubio-Martínez, J. Design of an interface peptide as new inhibitor of human glucose-6-phosphate dehydrogenase.
J. Mol. Graph. Model. 49, 110-117 (2014).

(14)-Selent J., Kaczor A.A, Guixà-González R., Carrió P., Pastor M., Obiol-Pardo C. Rational design of the survivin/CDK4 complex by combining protein-protein docking and molecular dynamics simulations.
J. Mol. Model. 19, 1507-1514 (2013).

(13)-Kaczor A.A.,Guixà-González R., Carrió P., Obiol-Pardo C., Pastor M., Selent J. Fractal dimension as a measure of surface roughness of G protein-coupled receptors: implications for structure and function.
J. Mol. Model. 18, 4465-4475 (2012).

(12)-Obiol-Pardo C., Alcarraz-Vizán G., Cascante M., Rubio-Martínez J. Diphenyl urea derivatives as inhibitors of transketolase: a structure-based virtual screening.
PLoS ONE 7, e32276 (2012).

(11)-Kufareva I., Rueda M., Katritch V., GPCR Dock 2010 participants (Obiol-Pardo C.), Stevens R.C., Abagyan R. Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment.
Structure 19, 1108-1126 (2011).

(10)-Obiol-Pardo C., López L., Pastor M., Selent J. Progress in the structural prediction of G protein-coupled receptors: D3 receptor in complex with eticlopride.
Proteins 79, 1695-1703 (2011).

(9)-Obiol-Pardo C., Gomis-Tena J., Sanz F., Saiz J., Pastor M. A multiscale simulation system for the prediction of drug-induced cardiotoxicity.
J. Chem. Inf. Model. 51, 483-492 (2011).

(8)-Obiol-Pardo C., Rubio-Martínez J., Imperial S. The methylerythritol phosphate (MEP) pathway for isoprenoid biosynthesis as a target for the development of new drugs against tuberculosis.
Curr. Med. Chem. 18, 1325-1338 (2011). Review.

(7)-Gimenez-Oya V., Villacañas O., Obiol-Pardo C., Antolin-Llovera M., Rubio-Martínez J., Imperial S. Design of novel ligands of CDP-methylerythritol kinase by mimicking direct protein-protein and solvent-mediated interactions.
J. Mol. Recognit. 24, 71-80 (2011).

(6)-Pastor M., Obiol-Pardo C., Gomis-Tena J., Saiz J., Sanz F. A multiscale simulation system for the prediction of drug cardiotoxicity.
Drugs Future 35 (Suppl. A), 3324 (2010). Proceeding.

(5)-Obiol-Pardo C., Gomis-Tena J., Saiz J., Pastor M., Sanz F. A cardiotoxicity prediction system based on multiscale modelling.
Tox. Lett. 196 (Suppl. 1), S254 (2010). Proceeding.

(4)-Obiol-Pardo C., Cordero A., Rubio-Martínez J., Imperial S. Homology modeling of Mycobacterium tuberculosis 2-C-methyl-D-erythritol-4-phosphate cytidylyltransferase, the third enzyme in the MEP pathway for isoprenoid biosynthesis.
J. Mol. Model. 16, 1061-1073 (2010).

(3)-Obiol-Pardo C., Rubio-Martínez J. Homology Modeling of human Transketolase: description of critical sites useful for drug design and study of the cofactor binding mode.
J. Mol. Graph. Model. 27, 723-734 (2009).

(2)-Obiol-Pardo C., Granadino-Roldán J.M., Rubio-Martinez J. Protein-protein recognition as a first step towards the inhibition of XIAP and Survivin anti-apoptotic proteins.
J. Mol. Recognit. 21, 190-204 (2008).

(1)-Obiol-Pardo C., Rubio-Martínez J. Comparative Evaluation of MMPBSA and XSCORE to compute binding free energy in XIAP-Peptide Complexes.
J. Chem. Inf. Model. 47, 134-142 (2007).


A web-server for prediction of drug cardiotoxicity (AP prolongation) developed for the VPH project.

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