N. Campillo

发表

Identification of new allosteric sites and modulators of AChE through computational and experimental tools

T. Blundell, Carlos Roca, C. Requena, 2018, Journal of enzyme inhibition and medicinal chemistry.

From dual binding site acetylcholinesterase inhibitors to allosteric modulators: A new avenue for disease-modifying drugs in Alzheimer's disease.

I. Carvalho, E. Sakamoto-Hojo, Carlos Roca, 2017, European journal of medicinal chemistry.

AI in drug development: a multidisciplinary perspective

Carlos Roca, N. Campillo, Víctor Gallego, 2021, Molecular Diversity.

Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents.

Víctor Sebastián-Pérez, Carmen Gil, Nuria E Campillo, 2017, European journal of medicinal chemistry.

Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits

Jean-Louis Reymond, Mahendra Awale, Víctor Sebastián-Pérez, 2017, J. Chem. Inf. Model..

Computational Drug Repositioning for Chagas Disease Using Protein-Ligand Interaction Profiling

M. Schroeder, V. J. Haupt, E. Saavedra, 2020, International journal of molecular sciences.

Exploring the binding sites of glycogen synthase kinase 3. Identification and characterization of allosteric modulation cavities.

C. Pérez, Ana Martínez, N. Campillo, 2011, Journal of medicinal chemistry.

Docking, synthesis, and NMR studies of mannosyl trisaccharide ligands for DC-SIGN lectin.

J. J. Reina, P. Nieto, N. Campillo, 2008, Organic & biomolecular chemistry.

Indazolylketones as new multitarget cannabinoid drugs.

M. L. de Ceballos, Carlos Roca, C. Pérez, 2019, European journal of medicinal chemistry.

Mutagenicity of N-oxide containing heterocycles and related compounds: experimental and theoretical studies.

Hugo Cerecetto, N. Campillo, Mercedes González, 2014, Current topics in medicinal chemistry.

Deciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools

T. Blundell, V. Sebastián-Pérez, Ana Martínez, 2020, Journal of enzyme inhibition and medicinal chemistry.

Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2016–2019)

Carlos Roca, N. Campillo, 2020, Expert opinion on therapeutic patents.

Unravelling the structure of the pneumococcal autolytic lysozyme.

J. García, N. Campillo, B. Monterroso, 2005, The Biochemical journal.

Active-site-mutagenesis study of rat liver betaine-homocysteine S-methyltransferase.

B. González, M. Gasset, N. Campillo, 2003, The Biochemical journal.

Highly potent and selective aryl-1,2,3-triazolyl benzylpiperidine inhibitors toward butyrylcholinesterase in Alzheimer's disease.

Peterson de Andrade, I. Carvalho, C. Pérez, 2019, Bioorganic & medicinal chemistry.

Computer-aided molecular design of pyrazolotriazines targeting glycogen synthase kinase 3

V. Sebastián-Pérez, C. Pérez, Ana Martínez, 2018, Journal of enzyme inhibition and medicinal chemistry.

Novel bronchodilators in the treatment of asthma and COPD

N. Campillo, J. A. Páez, 2002 .

Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin CPL-1*

J. García, N. Campillo, B. Monterroso, 2007, Journal of Biological Chemistry.

Discovery of novel Schistosoma mansoni PDE4A inhibitors as potential agents against schistosomiasis.

R. Leurs, H. D. de Koning, V. Sebastián-Pérez, 2019, Future medicinal chemistry.

Discovery of novel Schistosoma mansoni phosphodiesterase 4A inhibitors as potential agents against schistosomiasis

R. Leurs, Ana Martínez, N. Campillo, 2019 .

Glycopyrrolate combinations for the treatment of respiratory diseases

N. Campillo, J. A. Páez, A. Guerra, 2006 .

Glycopyrrolate combinations for the treatment of respiratory

N. Campillo, J. A. Páez, A. Guerra, 2006 .

Novel bronchodilators: synthesis, transamination reactions, and pharmacology of a series of pyrazino[2,3-c][1,2,6]thiadiazine 2, 2-dioxides.

N. Campillo, I. Alkorta, P. Goya, 2000, Journal of medicinal chemistry.

Multitarget drugs as potential therapeutic agents for alzheimer’s disease. A new family of 5-substituted indazole derivatives as cholinergic and BACE1 inhibitors

C. Pérez, N. Campillo, Á. Martín-Requero, 2022, Journal of enzyme inhibition and medicinal chemistry.

Crystal structure of CbpF, a bifunctional choline‐binding protein and autolysis regulator from Streptococcus pneumoniae

N. Campillo, R. Molina, J. Hermoso, 2009, EMBO reports.

5-imino-1,2,4-thiadiazoles: first small molecules as substrate competitive inhibitors of glycogen synthase kinase 3.

C. Pérez, Ana Martínez, N. Campillo, 2012, Journal of medicinal chemistry.

From Bitopic Inhibitors to Multitarget Drugs for the Future Treatment of Alzheimer's Disease.

Ana Martínez, N. Campillo, D. Perez, 2015, Current medicinal chemistry.

Naphthoquinone as a New Chemical Scaffold for Leishmanicidal Inhibitors of Leishmania GSK-3

V. Sebastián-Pérez, C. Pérez, N. Campillo, 2022, Biomedicines.

Identification in silico and experimental validation of novel phosphodiesterase 7 inhibitors with efficacy in experimental autoimmune encephalomyelitis mice.

M. Loza, J. Brea, M. Cadavid, 2012, ACS chemical neuroscience.

Synthesis, Structural Analysis, and Biological Evaluation of Thioxoquinazoline Derivatives as Phosphodiesterase 7 Inhibitors

F. J. Luque, H. Ke, J. Gelpí, 2009, ChemMedChem.

Activation of the Cannabinoid Type 2 Receptor by a Novel Indazole Derivative Normalizes the Survival Pattern of Lymphoblasts from Patients with Late-Onset Alzheimer’s Disease

C. Pérez, N. Campillo, E. Carro, 2018, CNS Drugs.

Tacrine–Melatonin Hybrids as Multifunctional Agents for Alzheimer's Disease, with Cholinergic, Antioxidant, and Neuroprotective Properties

C. Pérez, N. Campillo, Manuela G. López, 2009, ChemMedChem.

Targeting Cannabinoid Receptor Activation and BACE-1 Activity Counteracts TgAPP Mice Memory Impairment and Alzheimer’s Disease Lymphoblast Alterations

C. Pérez, N. Campillo, C. Alquezar, 2020, Molecular Neurobiology.

QSARModelling to Identify LRRK 2 Inhibitors for Parkinson ’ sDisease

V. Sebastián-Pérez, N. Campillo, María JimenaMartínez, 2019 .

PDE7 inhibitors as new drugs for neurological and inflammatory disorders

N. Campillo, D. Perez, Ana Martínez, 2008 .

Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors.

I. Carvalho, Carlos Roca, V. Sebastián-Pérez, 2018, European journal of medicinal chemistry.

Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model.

M. A. Moro, Cristina Val, M. Loza, 2012, European journal of medicinal chemistry.

Novel arylpyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxides as inhibitors of platelet aggregation. 1. Synthesis and pharmacological evaluation.

N. Campillo, P. Goya, J. A. Páez, 1999, Journal of medicinal chemistry.

Unraveling phosphodiesterase surfaces. Identification of phosphodiesterase 7 allosteric modulation cavities.

M. Loza, J. Brea, M. Cadavid, 2013, European journal of medicinal chemistry.

New cannabinoid receptor antagonists as pharmacological tool.

C. Pérez, N. Campillo, J. A. Páez, 2020, Bioorganic & medicinal chemistry.

Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease.

M. García-Arencibia, C. Pérez, N. Campillo, 2014, European journal of medicinal chemistry.

Dipole moments can be used to determine the conformation of calix[4]arenes

P. Nieto, J. Elguero, N. Campillo, 1993 .

In vivo anti-Chagas vinylthio-, vinylsulfinyl-, and vinylsulfonylbenzofuroxan derivatives.

N. Campillo, R. Krauth-Siegel, J. Cazzulo, 2007, Journal of medicinal chemistry.

Cannabinoid system in neurodegeneration: new perspectives in Alzheimer's disease.

N. Campillo, J. A. Páez, Juan A. Páez, 2009, Mini reviews in medicinal chemistry.

p‐Coumaric acid decarboxylase from Lactobacillus plantarum: Structural insights into the active site and decarboxylation catalytic mechanism

N. Campillo, B. de Las Rivas, R. Muñoz, 2010, Proteins.

Amidines bearing benzofuroxan or benzimidazole 1,3-dioxide core scaffolds as Trypanosoma cruzi-inhibitors: structural basis for their interactions with cruzipain†

N. Campillo, Diego Benítez, A. Merlino, 2012 .

Development of second generation amidinohydrazones, thio- and semicarbazones as Trypanosoma cruzi-inhibitors bearing benzofuroxan and benzimidazole 1,3-dioxide core scaffolds

N. Campillo, Diego Benítez, A. Merlino, 2010 .

Virtual Screening of FDA-Approved Drugs against Triose Phosphate Isomerase from Entamoeba histolytica and Giardia lamblia Identifies Inhibitors of Their Trophozoite Growth Phase

N. Campillo, G. Rivera, V. Bocanegra-García, 2021, International journal of molecular sciences.

COVID-19: Drug Targets and Potential Treatments

N. Campillo, Tiziana Ginex, David Ramírez, 2020, Journal of medicinal chemistry.

A theoretical study of epibatidine

N. Campillo, I. Alkorta, P. Goya, 1998 .

Synthesis and nematocide activity of S-glycopyranosyl-6,7-diarylthiolumazines.

N. Campillo, N. D'Accorso, M. M. Martins Alho, 2004, Bioorganic & medicinal chemistry.

Tau-Centric Multitarget Approach for Alzheimer's Disease: Development of First-in-Class Dual Glycogen Synthase Kinase 3β and Tau-Aggregation Inhibitors.

M. Bartolini, M. Bolognesi, G. Zuccheri, 2018, Journal of medicinal chemistry.

Therapeutic approaches for the future treatment of Fragile X

N. Campillo, Ana Martínez, C. Gil, 2015, Current Opinion in Behavioral Sciences.

Identification of potential inhibitors of protein-protein interaction useful to fight against Ebola and other highly pathogenic viruses

C. Requena, Ana Martínez, N. Campillo, 2021, Antiviral Research.

Host-Directed FDA-Approved Drugs with Antiviral Activity against SARS-CoV-2 Identified by Hierarchical In Silico/In Vitro Screening Methods

Ana Martínez, N. Campillo, Tiziana Ginex, 2020, bioRxiv.

Towards discovery of new leishmanicidal scaffolds able to inhibit Leishmania GSK-3

V. Sebastián-Pérez, Ana Martínez, N. Campillo, 2019, Journal of enzyme inhibition and medicinal chemistry.

Subtly Modulating Glycogen Synthase Kinase 3 β: Allosteric Inhibitor Development and Their Potential for the Treatment of Chronic Diseases.

L. Rubin, N. Rodriguez-Muela, Carlos Roca, 2017, Journal of medicinal chemistry.

New applications for known drugs: Human glycogen synthase kinase 3 inhibitors as modulators of Aspergillus fumigatus growth.

V. Sebastián-Pérez, Ana Martínez, N. Campillo, 2016, European journal of medicinal chemistry.

The Tautomerism of 5-Amino-3-oxo-1,2,4-thiadiazole: An Experimental and Theoretical Study

N. Campillo, J. A. Páez, A. Castro, 2007 .

Cpl-7, a Lysozyme Encoded by a Pneumococcal Bacteriophage with a Novel Cell Wall-binding Motif*

N. Campillo, N. Campillo, M. Menéndez, 2010, The Journal of Biological Chemistry.

The role of cofactor binding in tryptophan accessibility and conformational stability of His-tagged D-amino acid oxidase from Trigonopsis variabilis.

J. García, N. Campillo, M. Arroyo, 2007, Biochimica et biophysica acta.

Novel Imidazo[4,5-c][1,2,6]thiadiazine 2,2-dioxides as antiproliferative trypanosoma cruzi drugs: Computational screening from neural network, synthesis and in vivo biological properties.

N. Campillo, J. Paniagua-Solís, A. Gómez-Barrio, 2017, European journal of medicinal chemistry.

Artificial neural networks based on CODES descriptors in pharmacology: identification of novel trypanocidal drugs against Chagas disease.

N. Campillo, H. Cerecetto, J. A. Páez, 2013, Current computer-aided drug design.

Neural computational prediction of oral drug absorption based on CODES 2D descriptors.

N. Campillo, A Guerra, N E Campillo, 2010, European journal of medicinal chemistry.

Chagas disease: progress and new perspectives.

N. Campillo, N E Campillo, J A Páez, 2010, Current medicinal chemistry.

Artificial Neural Networks in ADMET Modeling: Prediction of Blood–Brain Barrier Permeation

Nuria E. Campillo, Juan A. Páez, N. Campillo, 2008 .

Cyclic Nucleotide-Specific Phosphodiesterases as Potential Drug Targets for Anti-Leishmania Therapy

H. D. de Koning, V. Sebastián-Pérez, Ana Martínez, 2018, Antimicrobial Agents and Chemotherapy.

Novel arylpyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxides as platelet aggregation inhibitors. 2. Optimization by quantitative structure-activity relationships.

N. Campillo, P. Goya, J. A. Páez, 1999, Journal of medicinal chemistry.

Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome

Ana Martínez, N. Campillo, A. Ferrús, 2017, Proceedings of the National Academy of Sciences.

Innovative Therapeutic Potential of Cannabinoid Receptors as Targets in Alzheimer's disease and Less Well-Known Diseases.

N. Campillo, J. A. Páez, 2018, Current medicinal chemistry.

Homology models of the cannabinoid CB1 and CB2 receptors. A docking analysis study.

N. Campillo, P. Goya, J. A. Páez, 2005, European journal of medicinal chemistry.

The value of selected in vitro and in silico methods to predict acute oral toxicity in a regulatory context: results from the European Project ACuteTox.

A Kopp-Schneider, A Kinsner-Ovaskainen, P Prieto, 2013, Toxicology in vitro : an international journal published in association with BIBRA.

Identification of Niemann-Pick C1 protein as a potential novel SARS-CoV-2 intracellular target

Ana Martínez, N. Campillo, I. Galindo, 2021, Antiviral Research.

Interaction studies between human alpha-tocopherol transfer protein and nitric oxide donor tocopherol analogues with LDL-protective activity.

N. Campillo, J. Atkinson, H. Rubbo, 2009, Bioorganic & medicinal chemistry.

Potential pharmacological strategies targeting the Niemann-Pick C1 receptor and Ebola virus glycoprotein interaction.

N. Campillo, C. Muñoz-Fontela, Tiziana Ginex, 2021, European journal of medicinal chemistry.

N′-Phenylacetohydrazide Derivatives as Potent Ebola Virus Entry Inhibitors with an Improved Pharmacokinetic Profile

Ana Martínez, N. Campillo, C. Muñoz-Fontela, 2023, Journal of medicinal chemistry.

Targeting Cannabinoid Receptor Activation and BACE-1 Activity Counteracts TgAPP Mice Memory Impairment and Alzheimer’s Disease Lymphoblast Alterations

C. Pérez, N. Campillo, Á. Martín-Requero, 2020, Molecular Neurobiology.

Effect of phosphodiesterase 7 (PDE7) inhibitors in experimental autoimmune encephalomyelitis mice. Discovery of a new chemically diverse family of compounds.

Cristina Val, M. Loza, J. Brea, 2012, Journal of medicinal chemistry.

Cyclic nucleotide specific phosphodiesterases as potential drug targets 1 for anti-Leishmania therapy 2 3 RUNNING TITLE : PDEs : therapeutic targets for leishmaniasis

V. Sebastián-Pérez, N. Campillo, Ana, 2018 .

Cannabinoid derivatives exert a potent anti‐myeloma activity both in vitro and in vivo

N. Campillo, M. Barbado, J. Pérez-Simón, 2017, International journal of cancer.

Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery

Maria Vanina Martinez, Carlos Roca, V. Sebastián-Pérez, 2017, Scientific Reports.

Multitarget cannabinoids as novel strategy for Alzheimer disease.

C. Pérez, N. Campillo, J. A. Páez, 2013, Current Alzheimer research.

QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease

Maria Vanina Martinez, Gustavo E. Vazquez, Carlos Roca, 2019, Scientific Reports.

Identification of NPC1 as a novel SARS-CoV-2 intracellular target

Ana Martínez, N. Campillo, I. Galindo, 2020, bioRxiv.

EMPIRICAL MODELLING OF SOLVENT POLARITY SCALES

J. Elguero, N. Campillo, J. A. Páez, 1996 .

Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.

Carlos Roca, Ana Martínez, N. Campillo, 2018, Journal of medicinal chemistry.

Explainable artificial intelligence: A taxonomy and guidelines for its application to drug discovery

N. Campillo, I. Ponzoni, Juan Antonio Páez Prosper, 2023, WIREs Computational Molecular Science.

Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase.

Arantxa Encinas, Nuria E. Campillo, Carmen Gil, 2008, Bioorganic & medicinal chemistry.

Discovery of Amoebicidal Compounds by Combining Computational and Experimental Approaches

V. Sebastián-Pérez, N. Campillo, J. Lorenzo-Morales, 2020, Antimicrobial Agents and Chemotherapy.

Solvent effect on the tautomerism of 4-aminopyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxides

N. Campillo, I. Alkorta, P. Goya, 1998 .

QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease

Maria Vanina Martinez, Fiorella Cravero, Ignacio Ponzoni, 2019, Scientific Reports.

COVID-19 vaccine race: analysis of age-dependent immune responses against SARS-CoV-2 indicates that more than just one strategy may be needed.

N. Campillo, Mercedes Jiménez, M. Canelles, 2020, Current medicinal chemistry.

Homology modelling and active-site-mutagenesis study of the catalytic domain of the pneumococcal phosphorylcholine esterase.

N. Campillo, Ana González, Laura Lagartera, 2005, Bioorganic & medicinal chemistry.

A study of peculiar tautomerism of pyrido[2,3-c][1,2,6]thiadiazine 2,2-dioxide system

N. Campillo, J. A. Páez, Cristina Montero, 2004 .

QSAR Modelling to Identify LRRK2 Inhibitors for Parkinson’s Disease

Ignacio Ponzoni, María Jimena Martínez, Víctor Sebastián-Pérez, 2019, J. Integr. Bioinform..

QSAR Modelling for Drug Discovery: Predicting the Activity of LRRK2 Inhibitors for Parkinson's Disease Using Cheminformatics Approaches

Ignacio Ponzoni, María Jimena Martínez, Víctor Sebastián-Pérez, 2018, PACBB.