Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery
Ponzoni, Ignacio, Sebastián-Pérez, Víctor, Requena-Triguero, Carlos, Roca, Carlos, Martínez, María J, Cravero, Fiorella, Díaz, Mónica F, Páez, Juan A, Arrayás, Ramón Gómez, Adrio, Javier, Campillo, Nuria E
Published in Scientific reports (25.05.2017)
Published in Scientific reports (25.05.2017)
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Journal Article
Host-Directed FDA-Approved Drugs with Antiviral Activity against SARS-CoV-2 Identified by Hierarchical In Silico/In Vitro Screening Methods
Ginex, Tiziana, Garaigorta, Urtzi, Ramírez, David, Castro, Victoria, Nozal, Vanesa, Maestro, Inés, García-Cárceles, Javier, Campillo, Nuria E, Martinez, Ana, Gastaminza, Pablo, Gil, Carmen
Published in Pharmaceuticals (Basel, Switzerland) (06.04.2021)
Published in Pharmaceuticals (Basel, Switzerland) (06.04.2021)
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Journal Article
Identification of new allosteric sites and modulators of AChE through computational and experimental tools
Roca, Carlos, Requena, Carlos, Sebastián-Pérez, Víctor, Malhotra, Sony, Radoux, Chris, Pérez, Concepción, Martinez, Ana, Antonio Páez, Juan, Blundell, Tom L., Campillo, Nuria E.
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2018)
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2018)
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Journal Article
From dual binding site acetylcholinesterase inhibitors to allosteric modulators: A new avenue for disease-modifying drugs in Alzheimer's disease
Chierrito, Talita P.C., Pedersoli-Mantoani, Susimaire, Roca, Carlos, Requena, Carlos, Sebastian-Perez, Victor, Castillo, Willian O., Moreira, Natalia C.S., Pérez, Concepción, Sakamoto-Hojo, Elza T., Takahashi, Catarina S., Jiménez-Barbero, Jesús, Cañada, F. Javier, Campillo, Nuria E., Martinez, Ana, Carvalho, Ivone
Published in European journal of medicinal chemistry (20.10.2017)
Published in European journal of medicinal chemistry (20.10.2017)
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Journal Article
Virtual Screening of FDA-Approved Drugs against Triose Phosphate Isomerase from Entamoeba histolytica and Giardia lamblia Identifies Inhibitors of Their Trophozoite Growth Phase
Juárez-Saldivar, Alfredo, Barbosa-Cabrera, Elizabeth, Lara-Ramírez, Edgar E., Paz-González, Alma D., Martínez-Vázquez, Ana V., Bocanegra-García, Virgilio, Palos, Isidro, Campillo, Nuria E., Rivera, Gildardo
Published in International journal of molecular sciences (31.05.2021)
Published in International journal of molecular sciences (31.05.2021)
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Journal Article
Computational Drug Repositioning for Chagas Disease Using Protein-Ligand Interaction Profiling
Juárez-Saldivar, Alfredo, Schroeder, Michael, Salentin, Sebastian, Haupt, V Joachim, Saavedra, Emma, Vázquez, Citlali, Reyes-Espinosa, Francisco, Herrera-Mayorga, Verónica, Villalobos-Rocha, Juan Carlos, García-Pérez, Carlos A, Campillo, Nuria E, Rivera, Gildardo
Published in International journal of molecular sciences (16.06.2020)
Published in International journal of molecular sciences (16.06.2020)
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Journal Article
Multitarget drugs as potential therapeutic agents for alzheimer's disease. A new family of 5-substituted indazole derivatives as cholinergic and BACE1 inhibitors
González-Naranjo, Pedro, Pérez, Concepción, González-Sánchez, Marina, Gironda-Martínez, Adrián, Ulzurrun, Eugenia, Bartolomé, Fernando, Rubio-Fernández, Marcos, Martin-Requero, Angeles, Campillo, Nuria E., Páez, Juan A.
Published in Journal of enzyme inhibition and medicinal chemistry (31.12.2022)
Published in Journal of enzyme inhibition and medicinal chemistry (31.12.2022)
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Journal Article
In Silico Analysis of Potential Drug Targets for Protozoan Infections
Juárez-Saldivar, Alfredo, Campillo, Nuria E, Ortiz-Perez, Eyra, Paz-Gonzalez, Alma D, Saavedra, Emma, Rivera, Gildardo
Published in Medicinal chemistry (Shp-sariqah, United Arab Emirates) (01.01.2023)
Published in Medicinal chemistry (Shp-sariqah, United Arab Emirates) (01.01.2023)
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Journal Article
From Bitopic Inhibitors to Multitarget Drugs for the Future Treatment of Alzheimer's Disease
Pérez, Daniel I, Martínez, Ana, Gil, Carmen, Campillo, Nuria E
Published in Current medicinal chemistry (01.01.2015)
Published in Current medicinal chemistry (01.01.2015)
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Journal Article
Design of New Dispersants Using Machine Learning and Visual Analytics
Martínez, María Jimena, Naveiro, Roi, Soto, Axel J, Talavante, Pablo, Kim Lee, Shin-Ho, Gómez Arrayas, Ramón, Franco, Mario, Mauleón, Pablo, Lozano Ordóñez, Héctor, Revilla López, Guillermo, Bernabei, Marco, Campillo, Nuria E, Ponzoni, Ignacio
Published in Polymers (06.03.2023)
Published in Polymers (06.03.2023)
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Journal Article
Towards discovery of new leishmanicidal scaffolds able to inhibit Leishmania GSK-3
Martínez de Iturrate, Paula, Sebastián-Pérez, Victor, Nácher-Vázquez, Montserrat, Tremper, Catherine S., Smirlis, Despina, Martín, Julio, Martínez, Ana, Campillo, Nuria E., Rivas, Luis, Gil, Carmen
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2020)
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2020)
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Journal Article
Unlocking the puzzle: non-defining mutations in SARS-CoV-2 proteome may affect vaccine effectiveness
Ulzurrun, Eugenia, Grande-Pérez, Ana, Del Hoyo, Daniel, Guevara, Cesar, Gil, Carmen, Sorzano, Carlos Oscar, Campillo, Nuria E
Published in Frontiers in public health (15.08.2024)
Published in Frontiers in public health (15.08.2024)
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Journal Article
Benzodioxane-Benzamides as FtsZ Inhibitors: Effects of Linker's Functionalization on Gram-Positive Antimicrobial Activity
Suigo, Lorenzo, Margolin, William, Ulzurrun, Eugenia, Hrast Rambaher, Martina, Zanotto, Carlo, Sebastián-Pérez, Victor, Campillo, Nuria E, Straniero, Valentina, Valoti, Ermanno
Published in Antibiotics (Basel) (01.12.2023)
Published in Antibiotics (Basel) (01.12.2023)
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Journal Article
Computer-aided molecular design of pyrazolotriazines targeting glycogen synthase kinase 3
Sciú, M. Lourdes, Sebastián-Pérez, Victor, Martinez-Gonzalez, Loreto, Benitez, Rocio, Perez, Daniel I., Pérez, Concepción, Campillo, Nuria E., Martinez, Ana, Moyano, E. Laura
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2019)
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2019)
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Journal Article
New applications for known drugs: Human glycogen synthase kinase 3 inhibitors as modulators of Aspergillus fumigatus growth
Sebastián-Pérez, Víctor, Manoli, Maria-Tsampika, Pérez, Daniel I., Gil, Carmen, Mellado, Emilia, Martínez, Ana, Espeso, Eduardo A., Campillo, Nuria E.
Published in European journal of medicinal chemistry (30.06.2016)
Published in European journal of medicinal chemistry (30.06.2016)
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Journal Article
Naphthoquinone as a New Chemical Scaffold for Leishmanicidal Inhibitors of Leishmania GSK-3
Sebastián-Pérez, Victor, Martínez de Iturrate, Paula, Nácher-Vázquez, Montserrat, Nóvoa, Luis, Pérez, Concepción, Campillo, Nuria E, Gil, Carmen, Rivas, Luis
Published in Biomedicines (14.05.2022)
Published in Biomedicines (14.05.2022)
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Journal Article
Multitarget cannabinoids as novel strategy for Alzheimer disease
González-Naranjo, Pedro, Campillo, Nuria E, Pérez, Concepción, Páez, Juan A
Published in Current Alzheimer research (01.03.2013)
Published in Current Alzheimer research (01.03.2013)
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Journal Article
Deciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools
Sebastian-Perez, Victor, García-Rubia, Alfonso, Seif el-Din, Sayed H., Sabra, Abdel-Nasser A., El-Lakkany, Naglaa M., William, Samia, Blundell, Tom L., Maes, Louis, Martinez, Ana, Campillo, Nuria E., Botros, Sanaa S., Gil, Carmen
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2020)
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2020)
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Journal Article
COVID-19: Drug Targets and Potential Treatments
Gil, Carmen, Ginex, Tiziana, Maestro, Inés, Nozal, Vanesa, Barrado-Gil, Lucía, Cuesta-Geijo, Miguel Ángel, Urquiza, Jesús, Ramírez, David, Alonso, Covadonga, Campillo, Nuria E, Martinez, Ana
Published in Journal of Medicinal Chemistry (12.11.2020)
Published in Journal of Medicinal Chemistry (12.11.2020)
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