Search Results - "Peña‐García, Jorge"

Quantum Effects Explain the Twist Angle in the Helical Structure of DNA by Jerbi, Jihène, Fink, Reinhold F., Peña‐García, Jorge, Arias‐Olivares, David, Contreras‐García, Julia, Cerón‐Carrasco, José P.

“…Why are DNA bases stacked in a double helix structure? We combined three theoretical approaches to demonstrate how one core concept derived from quantum…”
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Evaluation of the Anti-Diabetic Activity of Some Common Herbs and Spices: Providing New Insights with Inverse Virtual Screening by Pereira, Andreia S P, Banegas-Luna, Antonio J, Peña-García, Jorge, Pérez-Sánchez, Horacio, Apostolides, Zeno

“…Culinary herbs and spices are widely used as a traditional medicine in the treatment of diabetes and its complications, and there are several scientific…”
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Towards the Interpretability of Machine Learning Predictions for Medical Applications Targeting Personalised Therapies: A Cancer Case Survey by Banegas-Luna, Antonio Jesús, Peña-García, Jorge, Iftene, Adrian, Guadagni, Fiorella, Ferroni, Patrizia, Scarpato, Noemi, Zanzotto, Fabio Massimo, Bueno-Crespo, Andrés, Pérez-Sánchez, Horacio

“…Artificial Intelligence is providing astonishing results, with medicine being one of its favourite playgrounds. Machine Learning and, in particular, Deep…”
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Combined Structure and Ligand-Based Design of Selective Acetylcholinesterase Inhibitors by Pérez-Sánchez, Horacio, den Haan, Helena, Pérez-Garrido, Alfonso, Peña-García, Jorge, Chakraborty, Sandipan, Erdogan Orhan, Ilkay, Senol Deniz, Fatma Sezer, Villalgordo, José Manuel

“…Acetylcholinesterase is a prime target for therapeutic intervention in Alzheimer’s disease. Acetylcholinesterase inhibitors (AChEIs) are used to improve…”
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Current Status of Carbohydrates Information in the Protein Data Bank by de Meirelles, João L, Nepomuceno, Felipe C, Peña-García, Jorge, Schmidt, Ricardo Rodríguez, Pérez-Sánchez, Horacio, Verli, Hugo

“…Carbohydrates are well known for their physicochemical, biological, functional, and therapeutic characteristics. Unfortunately, their chemical nature imposes…”
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Metal-Free Synthesis of HMF from Glucose Using the Supercritical CO2–Subcritical H2O–Isopropanol System by Agutaya, Jonas Karl Christopher N, Inoue, Ryuto, Vin Tsie, Samantha Siew, Quitain, Armando T, de la Peña-García, Jorge, Pérez-Sánchez, Horacio, Sasaki, Mitsuru, Kida, Tetsuya

“…5-Hydroxymethylfurfural (HMF) is a promising building block for the production of biofuels and fine chemicals. While HMF can be derived from biomass,…”
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Exploring African Medicinal Plants for Potential Anti-Diabetic Compounds with the DIA-DB Inverse Virtual Screening Web Server by Pereira, Andreia S P, den Haan, Helena, Peña-García, Jorge, Moreno, Marién M, Pérez-Sánchez, Horacio, Apostolides, Zeno

“…Medicinal plants containing complex mixtures of several compounds with various potential beneficial biological effects are attractive treatment interventions…”
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Identification of an Allosteric Binding Site on Human Lysosomal Alpha-Galactosidase Opens the Way to New Pharmacological Chaperones for Fabry Disease by Citro, Valentina, Peña-García, Jorge, den-Haan, Helena, Pérez-Sánchez, Horacio, Del Prete, Rosita, Liguori, Ludovica, Cimmaruta, Chiara, Lukas, Jan, Cubellis, Maria Vittoria, Andreotti, Giuseppina

“…Personalized therapies are required for Fabry disease due to its large phenotypic spectrum and numerous different genotypes. In principle, missense mutations…”
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DIA-DB: A Database and Web Server for the Prediction of Diabetes Drugs by Pérez-Sánchez, Horacio, den-Haan, Helena, Peña-García, Jorge, Lozano-Sánchez, Jesús, Martínez Moreno, María Encarnación, Sánchez-Pérez, Antonia, Muñoz, Andrés, Ruiz-Espinosa, Pedro, Pereira, Andreia S.P, Katsikoudi, Antigoni, Gabaldón Hernández, José Antonio, Stojanovic, Ivana, Carretero, Antonio Segura, Tzakos, Andreas G

“…The DIA-DB is a web server for the prediction of diabetes drugs that uses two different and complementary approaches: (a) comparison by shape similarity…”
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Suramin, a drug for the treatment of trypanosomiasis, reduces the prothrombotic and metastatic phenotypes of colorectal cancer cells by inhibiting hepsin by Zaragoza-Huesca, David, Rodenas, Maria Carmen, Peñas-Martínez, Julia, Pardo-Sánchez, Irene, Peña-García, Jorge, Espín, Salvador, Ricote, Guillermo, Nieto, Andrés, García-Molina, Francisco, Vicente, Vicente, Lozano, Maria Luisa, Carmona-Bayonas, Alberto, Mulero, Victoriano, Pérez-Sánchez, Horacio, Martínez-Martínez, Irene

“…Recently, our group identified serine-protease hepsin from primary tumor as a biomarker of metastasis and thrombosis in patients with localized colorectal…”
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The FDA-Approved Antiviral Raltegravir Inhibits Fascin1-Dependent Invasion of Colorectal Tumor Cells In Vitro and In Vivo by Alburquerque-González, Begoña, Bernabé-García, Ángel, Bernabé-García, Manuel, Ruiz-Sanz, Javier, López-Calderón, Fernando Feliciano, Gonnelli, Leonardo, Banci, Lucia, Peña-García, Jorge, Luque, Irene, Nicolás, Francisco José, Cayuela-Fuentes, María Luisa, Luchinat, Enrico, Pérez-Sánchez, Horacio, Montoro-García, Silvia, Conesa-Zamora, Pablo

“…Fascin1 is the key actin-bundling protein involved in cancer invasion and metastasis whose expression is associated with bad prognosis in tumor from different…”
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Identification of the thistle milk component Silibinin(A) and Glutathione-disulphide as potential inhibitors of the pancreatic lipase: Potential implications on weight loss by Del Castillo-Santaella, Teresa, Hernández-Morante, Juan José, Suárez-Olmos, Jesús, Maldonado-Valderrama, Julia, Peña-García, Jorge, Martínez-Cortés, Carlos, Pérez-Sánchez, Horacio

“…[Display omitted] •Lipase inhibition, as occurs with orlistat, is suitable for weight loss.•Natural compounds with similar activity than orlistat may help in…”
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ANTIAGE-DB: A Database and Server for the Prediction of Anti-Aging Compounds Targeting Elastase, Hyaluronidase, and Tyrosinase by Papaemmanouil, Christina D, Peña-García, Jorge, Banegas-Luna, Antonio Jesús, Kostagianni, Androniki D, Gerothanassis, Ioannis P, Pérez-Sánchez, Horacio, Tzakos, Andreas G

“…Natural products bear a multivariate biochemical profile with antioxidant, anti-inflammatory, antibacterial, and antitumoral properties. Along with their…”
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Profiling Auspicious Butyrylcholinesterase Inhibitory Activity of Two Herbal Molecules: Hyperforin and Hyuganin C by Orhan, Ilkay Erdogan, Senol Deniz, F. Sezer, Trædal‐Henden, Steinar, Cerón‐Carrasco, José P., den Haan, Helena, Peña‐García, Jorge, Pérez‐Sánchez, Horacio, Emerce, Esra, Skalicka‐Wozniak, Krystyna

“…Cholinergic therapy based on cholinesterase (ChE) inhibitory drugs is the mainstay for the treatment of Alzheimer's disease. Therefore, an extensive research…”
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Assessment of Interaction of Human OCT 1-3 Proteins and Metformin Using Silico Analyses by Akà eşme, Faruk Berat, Beşli, Nail, Peà A-Garcà A, Jorge, Pà Rez-Sánchez, Horacio

“…Metformin, a drug frequently used by diabetic patients as the first-line treatment worldwide, is positively charged and is transported into the cell through…”
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Exploiting the cyclodextrins ability for antioxidants encapsulation: A computational approach to carnosol and carnosic acid embedding by Cerón-Carrasco, José P., den-Haan, Helena, Peña-García, Jorge, Contreras-García, Julia, Pérez-Sánchez, Horacio

“…[Display omitted] •Theoretical calculations have been performed to determine the encapsulation ability of cyclodextrins.•We used docking, hybrid QM:QM’ and NCI…”
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Venetoclax is a potent hepsin inhibitor that reduces the metastatic and prothrombotic phenotypes of hepsin-expressing colorectal cancer cells by Rodenas, Maria Carmen, Peñas-Martínez, Julia, Pardo-Sánchez, Irene, Zaragoza-Huesca, David, Ortega-Sabater, Carmen, Peña-García, Jorge, Espín, Salvador, Ricote, Guillermo, Montenegro, Sofía, Ayala-De La Peña, Francisco, Luengo-Gil, Ginés, Nieto, Andrés, García-Molina, Francisco, Vicente, Vicente, Bernardi, Francesco, Lozano, María Luisa, Mulero, Victoriano, Pérez-Sánchez, Horacio, Carmona-Bayonas, Alberto, Martínez-Martínez, Irene

“…Hepsin is a type II transmembrane serine protease and its expression has been linked to greater tumorigenicity and worse prognosis in different tumors…”
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Evaluation of the inhibition of monoamine oxidase A by bioactive coffee compounds protecting serotonin degradation by Grzelczyk, Joanna, Budryn, Grażyna, Peña-García, Jorge, Szwajgier, Dominik, Gałązka-Czarnecka, Ilona, Oracz, Joanna, Pérez-Sánchez, Horacio

“…•Chlorogenic acids in coffee comprise esters of caffeic and ferulic acid.•Green coffee extracts inhibited monoamine oxidase A activity.•Roasting coffee beans…”
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Selective in vitro and in silico butyrylcholinesterase inhibitory activity of diterpenes and rosmarinic acid isolated from Perovskia atriplicifolia Benth. and Salvia glutinosa L by Senol, F. Sezer, Ślusarczyk, Sylwester, Matkowski, Adam, Pérez-Garrido, Alfonso, Girón-Rodríguez, Francisco, Cerón-Carrasco, José P., den-Haan, Helena, Peña-García, Jorge, Pérez-Sánchez, Horacio, Domaradzki, Krzysztof, Orhan, Ilkay Erdogan

“…Cholinesterase inhibition is one of the most treatment strategies against Alzheimer's disease (AD) where metal accumulation is also strongly associated with…”
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Chitosan as stabilizing agent for negatively charged nanoparticles by Collado-González, Mar, Montalbán, Mercedes G., Peña-García, Jorge, Pérez-Sánchez, Horacio, Víllora, Gloria, Díaz Baños, F. Guillermo

“…•Chitosan behavior in solution when the ionic strength of the medium is increased.•Nanocomposites depend on proportion and concentration of chitosan and AuNP…”
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