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Vicente Galiano

Bio: Vicente Galiano is an academic researcher from Universidad Miguel Hernández de Elche. The author has contributed to research in topics: Encoder & Parallel algorithm. The author has an hindex of 11, co-authored 47 publications receiving 469 citations.


Papers
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TL;DR: This review gives an overview of MNPs, both in research or clinical stages, from diverse organisms that were reported as being active or potentially active in cancer treatment in the past seventeen years and describes their putative mechanisms of action.
Abstract: Marine secondary metabolites are a promising source of unexploited drugs that have a wide structural diversity and have shown a variety of biological activities. These compounds are produced in response to the harsh and competitive conditions that occur in the marine environment. Invertebrates are considered to be among the groups with the richest biodiversity. To date, a significant number of marine natural products (MNPs) have been established as antineoplastic drugs. This review gives an overview of MNPs, both in research or clinical stages, from diverse organisms that were reported as being active or potentially active in cancer treatment in the past seventeen years (from January 2000 until April 2017) and describes their putative mechanisms of action. The structural diversity of MNPs is also highlighted and compared with the small-molecule anticancer drugs in clinical use. In addition, this review examines the use of virtual screening for MNP-based drug discovery and reveals that classical approaches for the selection of drug candidates based on ADMET (absorption, distribution, metabolism, excretion, and toxicity) filtering may miss potential anticancer lead compounds. Finally, we introduce a novel and publically accessible chemical library of MNPs for virtual screening purposes.

158 citations

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TL;DR: The results provided have the same order of accuracy of the best documented methods in the field of parameters extraction, but the best accuracy documented until now is obtained in two important case studies usually used in the literature as well as in a large-scale curve repository with more than one million of curves.
Abstract: In this paper, a new method to calculate the five parameters of the single-diode model of a photovoltaic cell or panel is presented. This new method takes into account the intrinsic properties of the model equation and the technique of linear least-squares fitting; so, the computational complexity and costs are very low. Moreover, the proposed method, named two-step linear least-squares method, is able to work absolutely blindly with any kind of I–V curve. It does not need initial guesses at all and, consequently, it is not necessary to know previously any information of any parameter. The proposed method provides the parameters of the single-diode model just using the coordinates of $N$ points $(N\ge 5)$ of the I–V curve. The results provided by this method in a first stage have the same order of accuracy of the best documented methods in the field of parameters extraction, but, furthermore, in a second stage, the best accuracy documented until now is obtained in two important case studies usually used in the literature as well as in a large-scale I–V curve repository with more than one million of curves.

122 citations

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TL;DR: The present in silico study aimed at finding new inhibitors of the NS5 RNA-dependent RNA polymerase of the four serotypes of DENV by using a chemical library comprising 372,792 nonnucleotide compounds to perform molecular docking experiments against a binding site of the RNA template tunnel of the virus polymerase.
Abstract: The dengue virus (DENV) nonstructural protein 5 (NS5) contains both an N-terminal methyltransferase domain and a C-terminal RNA-dependent RNA polymerase domain. Polymerase activity is responsible for viral RNA synthesis by a de novo initiation mechanism and represents an attractive target for antiviral therapy. The incidence of DENV has grown rapidly and it is now estimated that half of the human population is at risk of becoming infected with this virus. Despite this, there are no effective drugs to treat DENV infections. The present in silico study aimed at finding new inhibitors of the NS5 RNA-dependent RNA polymerase of the four serotypes of DENV. We used a chemical library comprising 372,792 nonnucleotide compounds (around 325,319 natural compounds) to perform molecular docking experiments against a binding site of the RNA template tunnel of the virus polymerase. Compounds with high negative free energy variation (ΔG <-10.5 kcal/mol) were selected as putative inhibitors. Additional filters for favorable druggability and good absorption, distribution, metabolism, excretion, and toxicity were applied. Finally, after the screening process was completed, we identified 39 compounds as lead DENV polymerase inhibitor candidates. Potentially, these compounds could act as efficient DENV polymerase inhibitors in vitro and in vivo.

35 citations

Journal ArticleDOI
TL;DR: This work has aimed to locate the molecule of OA in two membrane model systems, i.e., POPC/Chol and POPC-POPG-Chol, and found that OA seems to interact stronger with POPG than with POPC, implying the existence of specific interactions with negatively-charged phospholipids.

31 citations

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TL;DR: This work analyzes the behavior of several parallel algorithms developed to compute the two-dimensional discrete wavelet transform using both OpenMP over a multicore platform and CUDA over a GPU and compares their implementations against sequential CPU algorithms and other recently proposed algorithms.
Abstract: In this work, we analyze the behavior of several parallel algorithms developed to compute the two-dimensional discrete wavelet transform using both OpenMP over a multicore platform and CUDA over a GPU. The proposed parallel algorithms are based on both regular filter-bank convolution and lifting transform with small implementations changes focused on both the memory requirements reduction and the complexity reduction. We compare our implementations against sequential CPU algorithms and other recently proposed algorithms like the SMDWT algorithm over different CPUs and the Wippig&Klauer algorithm over a GTX280 GPU. Finally, we analyze their behavior when algorithms are adapted to each architecture. Significant execution times improvements are achieved on both multicore platforms and GPUs. Depending on the multicore platform used, we achieve speed-ups of 1.9 and 3.4 using two and four processes, respectively, when compared to the sequential CPU algorithm, or we obtain speed-ups of 7.1 and 8.9 using eight and ten processes. Regarding GPUs, the GPU convolution algorithm using the GPU shared memory obtains speed-ups up to 20 when compared to the CPU sequential algorithm.

25 citations


Cited by
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Journal ArticleDOI
TL;DR: The Hybrid Single Particle Lagrangian Integrated Trajectory model (HYSPLIT) as mentioned in this paper is one of the most widely used models for atmospheric trajectory and dispersion calculations.
Abstract: The Hybrid Single-Particle Lagrangian Integrated Trajectory model (HYSPLIT), developed by NOAA’s Air Resources Laboratory, is one of the most widely used models for atmospheric trajectory and dispersion calculations. We present the model’s historical evolution over the last 30 years from simple hand-drawn back trajectories to very sophisticated computations of transport, mixing, chemical transformation, and deposition of pollutants and hazardous materials. We highlight recent applications of the HYSPLIT modeling system, including the simulation of atmospheric tracer release experiments, radionuclides, smoke originated from wild fires, volcanic ash, mercury, and wind-blown dust.

3,875 citations

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TL;DR: A review of the evolution of methods for assessing the effect of the origin and pathway of air masses on composition change and trends can be found in this paper, where a newly developed methodology for analysing atmospheric observatory composition data according to air mass pathways calculated with the NAME dispersion model is given as a detailed case study.

297 citations

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TL;DR: Overall, a complex picture of lipid–protein interactions emerges, through a range of mechanisms including modulation of the physical properties of the lipid environment, detailed chemical interactions between lipids and proteins, and key functional roles of very specific lipids binding to well-defined binding sites on proteins.
Abstract: Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable membrane environment for proteins to being embedded in to detailed roles in complicated and well-regulated protein functions. Experimental and computational advances are converging in a rapidly expanding research area of lipid–protein interactions. Experimentally, the database of high-resolution membrane protein structures is growing, as are capabilities to identify the complex lipid composition of different membranes, to probe the challenging time and length scales of lipid–protein interactions, and to link lipid–protein interactions to protein function in a variety of proteins. Computationally, more accurate membrane models and more powerful computers now enable a detailed look at lipid–protein interactions and increasing overlap with experimental observations for validation and joint interpretation of simulation and experiment. Here we review papers that use computational approaches to study detailed lipid–prot...

263 citations

Journal ArticleDOI
TL;DR: This review travels through most of the current and past research, recapitulating the biochemical and physiological correlations of the beneficial properties of olive tree (Olea europaea) polyphenols and their derivatives found in olive oil.
Abstract: The increasing interest in the Mediterranean diet hinges on its healthy and anti-ageing properties. The composition of fatty acids, vitamins and polyphenols in olive oil, a key component of this diet, is considered a key feature of its healthy properties. Therefore, it is of significance that the Rod of Asclepius lying on a world map surrounded by olive tree branches has been chosen by the World Health Organization as a symbol of both peace and well-being. This review travels through most of the current and past research, recapitulating the biochemical and physiological correlations of the beneficial properties of olive tree (Olea europaea) polyphenols and their derivatives found in olive oil. The factors influencing the content and beneficial properties of olive oil polyphenols will also be taken into account together with their bioavailability. Finally, the data on the clinical and epidemiological relevance of olive oil and its polyphenols for longevity and against age- and lifestyle-associated pathologies such as cancer, cardiovascular, metabolic and neurodegenerative diseases are reviewed.

201 citations

Journal ArticleDOI
TL;DR: An accurate and straightforward method for modeling and simulation of photovoltaic (PV) modules based on the datasheet parameters, which are given by all commercial PV modules, which indicates an excellent agreement with the measured data.

186 citations