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Horacio Pérez-Sánchez
Universidad Católica San Antonio de Murcia
137Publications
17H-index
1,013Citations
Publications 134
Newest
#1S. Puertas-Martín (UKC: University of Kent)H-Index: 1
#2Juana López Redondo (UAL: University of Almería)H-Index: 11
Last.Horacio Pérez-SánchezH-Index: 17
view all 4 authors...
Virtual Screening (VS) methods can drastically accelerate global drug discovery processes. Among the most widely used VS approaches, Shape Similarity Methods compare in detail the global shape of a query molecule against a large database of potential drug compounds. Even so, the databases are so enormously large that, in order to save time, the current VS methods are not exhaustive, but they are mainly local optimizers that can easily be entrapped in local optima. It means that they discard prom...
1 CitationsSource
#1Miguel Ángel Rivero-Crespo (Polytechnic University of Valencia)H-Index: 6
#2María Tejeda-Serrano (Polytechnic University of Valencia)H-Index: 3
Last.Antonio Leyva-Pérez (Polytechnic University of Valencia)H-Index: 23
view all 5 authors...
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#1Sajjad Ahmad (QAU: Quaid-i-Azam University)H-Index: 7
#2Afifa Navid (QAU: Quaid-i-Azam University)H-Index: 1
Last.Horacio Pérez-Sánchez (Universidad Católica San Antonio de Murcia)H-Index: 17
view all 6 authors...
The emergence and dissemination of pan drug resistant clones of Klebsiella pneumoniae are great threat to public health. In this regard new therapeutic targets must be highlighted to pave the path for novel drug discovery and development. Subtractive proteomic pipeline brought forth UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC), a Zn+2 dependent cytoplasmic metalloprotein and catalyze the rate limiting deacetylation step of lipid A biosynthesis pathway. Primary sequence ana...
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#1Rajan Choudhary (National University of Science and Technology)
#2Senthil Kumar Venkatraman (VIT University)H-Index: 2
Last.Sasikumar Swamiappan (VIT University)H-Index: 5
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Abstract This work reports on the preparation and characterization of mesoporous nano diopside (CaMgSi 2 O 6 ) using a simple and cost-effective sol-gel combustion route. Stoichiometric oxidant/fuel ratio was adopted for the combustion reaction. Eggshell was used as a calcium source, glycine (fuel) as reductant, magnesium nitrate and nitric acid as oxidant were used in the preparation. The thermal behavior of the precursor was studied by thermo-gravimetric analysis (TGA) and heating microscopy. ...
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Food peptides contain a very wide range of diversified structures, which explains their diverse range of functional activities. Proatherogenic endothelium is related to vasoconstriction, inflammation, and oxidative stress. In this line, four synthetic bioactive peptides from dry-cured pork ham, previously identified according to their Angiotensin I Converting Enzyme (ACE) inhibitory capacity and high bioavailability, were tested. Among them, KPVAAP displayed an estimated IC50 of 59.22 µM for hum...
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#1Antonio J. Banegas-Luna (Universidad Católica San Antonio de Murcia)H-Index: 2
#2Jorge Peña-García (Universidad Católica San Antonio de Murcia)H-Index: 6
Last.José P. Cerón-Carrasco (Universidad Católica San Antonio de Murcia)H-Index: 7
view all 5 authors...
Recent in vivo models demonstrated that immune checkpoint cancer therapy can be improved by injecting interleukine (IL)-18, a proinflammatory cytokine of the IL-1 family. Aiming to increase the beneficial action of cytokines in cancer treatments, we used docking, non-covalent interaction analysis and molecular dynamics simulations to determine their ability for embedding alkaloid-based drugs. Our calculations suggest that three alkaloids with anticancer activity, e.g., paclitaxel, vincristine an...
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Neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) are ligand-gated ion channels (LGIC) that have been implicated in nicotine addiction, reward, cognition, pain disorders, anxiety, and depression. Nicotine has been widely used as a template for the synthesis of ligands that prefer α4β2 nAChRs subtypes. The most important therapeutic use for α4β2 nAChRs is as replacement therapy for smoking cessation and withdrawal and the most successful therapeutic ligands are partial agonists. In this ca...
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#1Antonio J. Banegas-Luna (Universidad Católica San Antonio de Murcia)H-Index: 2
#2José P. Cerón-Carrasco (Universidad Católica San Antonio de Murcia)H-Index: 7
Last.Horacio Pérez-Sánchez (Universidad Católica San Antonio de Murcia)H-Index: 17
view all 4 authors...
BRUSELAS (balanced rapid and unrestricted server for extensive ligand-aimed screening) is a novel, highly efficient web software architecture for 3D shape and pharmacophore searches in off the cuff libraries. A wide panel of shape and pharmacophore similarity algorithms are combined to avoid unbiased results while yielding consensus scoring functions. To evaluate its reliability, BRUSELAS was tested against other similar servers (e.g., USR-VS, SwissSimilarity, ChemMapper) to search for potential...
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#1Javier Prades (Polytechnic University of Valencia)H-Index: 6
#2Baldomero Imbernón (Universidad Católica San Antonio de Murcia)H-Index: 4
Last.Horacio Pérez-Sánchez (Universidad Católica San Antonio de Murcia)H-Index: 17
view all 7 authors...
The full-understanding of the dynamics of molecular systems at the atomic scale is of great relevance in the fields of chemistry, physics, materials science, and drug discovery just to name a few. ...
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Last.Levent CavasH-Index: 15
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Halophila stipulacea is a well-known invasive marine sea grass in the Mediterranean Sea. Having been introduced into the Mediterranean Sea via the Suez Channel, it is considered a Lessepsian migrant. Although, unlike other invasive marine seaweeds, it has not demonstrated serious negative impacts on indigenous species, it does have remarkable invasive properties. The present in-silico study reveals the biotechnological features of H. stipulacea by showing bioactive peptides from its rubisc/o pro...
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