Horacio Pérez-Sánchez

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Virtual Screening (VS) methods can considerably aid clinical research, predicting how ligands interact with drug targets. Most VS methods suppose a unique binding site for the target, usually derived from the interpretation of the protein crystal structure. However, it has been demonstrated that in many cases, diverse ligands interact with unrelated parts(More)
The explosion of the data both in the biomedical research and in the healthcare systems demands urgent solutions. In particular, the research in omics sciences is moving from a hypothesis-driven to a data-driven approach. Healthcare is additionally always asking for a tighter integration with biomedical data in order to promote personalized medicine and to(More)
We report results for the in-silico screening of a database of 10000 flexible compounds against various crystal structures of the thymidine kinase receptor complexed with 10 known inhibitors. The ligands were docked with the stochastic tunneling method using a first-principle based scoring function. Using a rigid receptor we find large deviations in the(More)
The hypocholesterolemic effect of tomato juice has been investigated in an intervention study with rats, along with the possible inhibition effect of bioactive tomato compounds binding to the HMGCR enzyme. Two experimental groups (n = 8 Sprague-Dawley rats) were fed ad libitum for five weeks, with water or tomato juice provided to the control and(More)
Omics sciences are able to produce, with the modern high-throughput techniques of analytical chemistry and molecular biology, a huge amount of data. Next generation sequenc-ing (NGS) analysis of diseased somatic cells, genome wide identification of regulatory elements and biomarkers, systems biology studies of biochemical pathways and gene network, and(More)
Adenosine, a widespread and endogenous nucleoside that acts as a powerful neuromodulator in the nervous system, is a promising therapeutic target in a wide range of conditions. The structural similarity between xanthine derivatives and neurotransmitter adenosine has led to the derivatives of the heterocyclic ring being among the most abundant chemical(More)
Bioinformatics is an interdisciplinary research field that develops tools for the analysis of large biological databases, and, thus, the use of high performance computing (HPC) platforms is mandatory for the generation of useful biological knowledge. The latest generation of graphics processing units (GPUs) has democratized the use of HPC as they push(More)
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