MCC950 closes the active conformation of NLRP3 to an inactive state von Tapia-Abellán, Ana, Angosto-Bazarra, Diego, Martínez-Banaclocha, Helios, de Torre-Minguela, Carlos, Cerón-Carrasco, Jose P., Pérez-Sánchez, Horacio, Arostegui, Juan I., Pelegrin, Pablo

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Assessment of the Interaction of Acetylcholinesterase Binding with Bioactive Compounds from Coffee and Coffee Fractions Digested In Vitro in the Gastrointestinal Tract von Grzelczyk, Joanna, Pérez-Sánchez, Horacio, Carmena-Bargueño, Miguel, Rodríguez-Martínez, Alejandro, Budryn, Grażyna

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Evaluation of the Anti-Diabetic Activity of Some Common Herbs and Spices: Providing New Insights with Inverse Virtual Screening von Pereira, Andreia S P, Banegas-Luna, Antonio J, Peña-García, Jorge, Pérez-Sánchez, Horacio, Apostolides, Zeno

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Towards the Interpretability of Machine Learning Predictions for Medical Applications Targeting Personalised Therapies: A Cancer Case Survey von Banegas-Luna, Antonio Jesús, Peña-García, Jorge, Iftene, Adrian, Guadagni, Fiorella, Ferroni, Patrizia, Scarpato, Noemi, Zanzotto, Fabio Massimo, Bueno-Crespo, Andrés, Pérez-Sánchez, Horacio

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High-Throughput parallel blind Virtual Screening using BINDSURF von Sánchez-Linares, Irene, Pérez-Sánchez, Horacio, Cecilia, José M, García, José M

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Antcin-B, a phytosterol-like compound from Taiwanofungus camphoratus inhibits SARS-CoV-2 3-chymotrypsin-like protease (3CLPro) activity in silico and in vitro von Dakpa, Gyaltsen, Kumar, K. J. Senthil, Nelen, Jochem, Pérez-Sánchez, Horacio, Wang, Sheng-Yang

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Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies von Budryn, Gra?yna, Majak, Iwona, Grzelczyk, Joanna, Szwajgier, Dominik, Rodríguez-Martínez, Alejandro, Pérez-Sánchez, Horacio

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Metal-Free Synthesis of HMF from Glucose Using the Supercritical CO2–Subcritical H2O–Isopropanol System von 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

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ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery von Nelen, Jochem, Carmena-Bargueño, Miguel, Martínez-Cortés, Carlos, Rodríguez-Martínez, Alejandro, Villalgordo-Soto, José Manuel, Pérez-Sánchez, Horacio

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Evaluation of Isoflavones as Bone Resorption Inhibitors upon Interactions with Receptor Activator of Nuclear Factor-κB Ligand (RANKL) von Zakłos-Szyda, Małgorzata, Budryn, Grażyna, Grzelczyk, Joanna, Pérez-Sánchez, Horacio, Żyżelewicz, Dorota

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Current Status of Carbohydrates Information in the Protein Data Bank von de Meirelles, João L, Nepomuceno, Felipe C, Peña-García, Jorge, Schmidt, Ricardo Rodríguez, Pérez-Sánchez, Horacio, Verli, Hugo

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Senescence-Independent Anti-Inflammatory Activity of the Senolytic Drugs Dasatinib, Navitoclax, and Venetoclax in Zebrafish Models of Chronic Inflammation von Hernández-Silva, David, Cantón-Sandoval, Joaquín, Martínez-Navarro, Francisco Juan, Pérez-Sánchez, Horacio, de Oliveira, Sofia, Mulero, Victoriano, Alcaraz-Pérez, Francisca, Cayuela, María Luisa

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Analysis of AlphaFold and molecular dynamics structure predictions of mutations in serpins von Garrido-Rodríguez, Pedro, Carmena-Bargueño, Miguel, de la Morena-Barrio, María Eugenia, Bravo-Pérez, Carlos, de la Morena-Barrio, Belén, Cifuentes-Riquelme, Rosa, Lozano, María Luisa, Pérez-Sánchez, Horacio, Corral, Javier

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DIA-DB: A Database and Web Server for the Prediction of Diabetes Drugs von 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

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Novel anti-invasive properties of a Fascin1 inhibitor on colorectal cancer cells von Montoro-García, Silvia, Alburquerque-González, Begoña, Bernabé-García, Ángel, Bernabé-García, Manuel, Rodrigues, Priscila Campioni, den-Haan, Helena, Luque, Irene, Nicolás, Francisco José, Pérez-Sánchez, Horacio, Cayuela, María Luisa, Salo, Tuula, Conesa-Zamora, Pablo

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Exploring African Medicinal Plants for Potential Anti-Diabetic Compounds with the DIA-DB Inverse Virtual Screening Web Server von Pereira, Andreia S P, den Haan, Helena, Peña-García, Jorge, Moreno, Marién M, Pérez-Sánchez, Horacio, Apostolides, Zeno

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Vitamin‐C‐dependent downregulation of the citrate metabolism pathway potentiates pancreatic ductal adenocarcinoma growth arrest von Cenigaonandia‐Campillo, Aiora, Garcia‐Bautista, Ana, Rio‐Vilariño, Anxo, Cebrian, Arancha, Puerto, Laura, Pellicer, José Antonio, Gabaldón, José Antonio, Pérez‐Sánchez, Horacio, Carmena‐Bargueño, Miguel, Meroño, Carolina, Traba, Javier, Fernandez‐Aceñero, María Jesús, Baños‐Herraiz, Natalia, Mozas‐Vivar, Lorena, Núñez‐Delicado, Estrella, Garcia‐Foncillas, Jesús, Aguilera, Óscar

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Computational Study of Asian Propolis Compounds as Potential Anti-Type 2 Diabetes Mellitus Agents by Using Inverse Virtual Screening with the DIA-DB Web Server, Tanimoto Similarity... von Syaifie, Putri Hawa, Harisna, Azza Hanif, Nasution, Mochammad Arfin Fardiansyah, Arda, Adzani Gaisani, Nugroho, Dwi Wahyu, Jauhar, Muhammad Miftah, Mardliyati, Etik, Maulana, Nurwenda Novan, Rochman, Nurul Taufiqu, Noviyanto, Alfian, Banegas-Luna, Antonio J, Pérez-Sánchez, Horacio

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Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes von Rodríguez-López, María Isabel, Mercader-Ros, María Teresa, Lucas-Abellán, Carmen, Pellicer, José Antonio, Pérez-Garrido, Alfonso, Pérez-Sánchez, Horacio, Yáñez-Gascón, María Josefa, Gabaldón, José Antonio, Núñez-Delicado, Estrella

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Fishing the Targets of Bioactive Compounds from Psidium guajava L. Leaves in the Context of Diabetes von Díaz-de-Cerio, Elixabet, Girón, Francisco, Pérez-Garrido, Alfonso, Pereira, Andreia S P, Gabaldón-Hernández, José Antonio, Verardo, Vito, Segura Carretero, Antonio, Pérez-Sánchez, Horacio

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