Works by Caballero, Julio

Results: 102

Short-term effects of percutaneous electrical nerve stimulation on pain and muscle function in patients undergoing anterior cruciate ligament surgery: a randomized clinical trial.

Published in:

Frontiers in Rehabilitation Sciences, 2025, p. 1, doi. 10.3389/fresc.2025.1501703

By:

Caballero-López, Julio;
Navarro-Santana, Marcos;
Almazán-Polo, Jaime;
García-Sanz, Fernando;
Díaz-Arribas, María José;
Minaya-Muñoz, Francisco;
Romero-Morales, Carlos

Publication type:

Article

Muscle Activation and Mobility After Robotic Total Knee Arthroplasty: Insights from Early Postoperative Recovery.

Published in:

Journal of Clinical Medicine, 2025, v. 14, n. 9, p. 3150, doi. 10.3390/jcm14093150

By:

García-Sanz, Fernando;
Romero-Morales, Carlos;
Espejo-Carrizo, Rocío;
Caballero-López, Julio;
Sánchez-Clemente, Daniel;
Bravo-Aguilar, María;
López-López, Daniel;
Villafañe, Jorge Hugo;
Jiménez-Saiz, Sergio L.;
González-de-la-Flor, Ángel

Publication type:

Article

Mixed strain pathogen populations accelerate the evolution of antibiotic resistance in patients.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39416-2

By:

Diaz Caballero, Julio;
Wheatley, Rachel M.;
Kapel, Natalia;
López-Causapé, Carla;
Van der Schalk, Thomas;
Quinn, Angus;
Shaw, Liam P.;
Ogunlana, Lois;
Recanatini, Claudia;
Xavier, Basil Britto;
Timbermont, Leen;
Kluytmans, Jan;
Ruzin, Alexey;
Esser, Mark;
Malhotra-Kumar, Surbhi;
Oliver, Antonio;
MacLean, R. Craig

Publication type:

Article

Shannon entropy variation as a global indicator of electron density contraction at interatomic regions in chemical reactions.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 11, p. 1, doi. 10.1007/s00894-024-06171-0

By:

Barrales-Martínez, César;
Durán, Rocío;
Caballero, Julio

Publication type:

Article

Improved Anti-Inflammatory and Pharmacokinetic Properties for Superoxide Dismutase by Chemical Glycosidation with Carboxymethylchitin.

Published in:

Macromolecular Bioscience, 2005, v. 5, n. 2, p. 118, doi. 10.1002/mabi.200400114

By:

Valdivia, Aimara;
Perez, Yunel;
Dominguez, Amalia;
Caballero, Julio;
Gomez, Leissy;
Schacht, Etienne H.;
Villalonga, Reynaldo

Publication type:

Article

Force Field Parameters for Fe 2+ 4 S 2− 4 Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies.

Published in:

Molecules, 2021, v. 26, n. 10, p. 2929, doi. 10.3390/molecules26102929

By:

Tendwa, Maureen Bilinga;
Chebon-Bore, Lorna;
Lobb, Kevin;
Musyoka, Thommas Mutemi;
Tastan Bishop, Özlem;
Caballero, Julio

Publication type:

Article

Binding Free Energy (BFE) Calculations and Quantitative Structure–Activity Relationship (QSAR) Analysis of Schistosoma mansoni Histone Deacetylase 8 (sm HDAC8) Inhibitors.

Published in:

Molecules, 2021, v. 26, n. 9, p. 2584, doi. 10.3390/molecules26092584

By:

Simoben, Conrad V.;
Ghazy, Ehab;
Zeyen, Patrik;
Darwish, Salma;
Schmidt, Matthias;
Romier, Christophe;
Robaa, Dina;
Sippl, Wolfgang;
Caballero, Julio

Publication type:

Article

Computational Modeling to Explain Why 5,5-Diarylpentadienamides are TRPV1 Antagonists.

Published in:

Molecules, 2021, v. 26, n. 6, p. 1765, doi. 10.3390/molecules26061765

By:

Caballero, Julio;
Costa, Giosuè;
De Los Rios, Cristobal

Publication type:

Article

GPR6 Structural Insights: Homology Model Construction and Docking Studies.

Published in:

Molecules, 2020, v. 25, n. 3, p. 725, doi. 10.3390/molecules25030725

By:

Isawi, Israa H.;
Morales, Paula;
Sotudeh, Noori;
Hurst, Dow P.;
Lynch, Diane L.;
Reggio, Patricia H.;
Caballero, Julio

Publication type:

Article

TLR4-Targeting Therapeutics: Structural Basis and Computer-Aided Drug Discovery Approaches.

Published in:

Molecules, 2020, v. 25, n. 3, p. 627, doi. 10.3390/molecules25030627

By:

Ain, Qurat ul;
Batool, Maria;
Choi, Sangdun;
Caballero, Julio

Publication type:

Article

Considerations for Docking of Selective Angiotensin-Converting Enzyme Inhibitors.

Published in:

Molecules, 2020, v. 25, n. 2, p. 295, doi. 10.3390/molecules25020295

By:

Caballero, Julio;
Leone, Marilisa

Publication type:

Article

A Comprehensive QSAR Study on Antileishmanial and Antitrypanosomal Cinnamate Ester Analogues.

Published in:

Molecules, 2019, v. 24, n. 23, p. 4358, doi. 10.3390/molecules24234358

By:

Bernal, Freddy A.;
Schmidt, Thomas J.;
Caballero, Julio

Publication type:

Article

Lipophilicity Determination of Antifungal Isoxazolo[3,4-b]pyridin-3(1H)-ones and Their N1-Substituted Derivatives with Chromatographic and Computational Methods.

Published in:

Molecules, 2019, v. 24, n. 23, p. 4311, doi. 10.3390/molecules24234311

By:

Ciura, Krzesimir;
Fedorowicz, Joanna;
Andrić, Filip;
Žuvela, Petar;
Greber, Katarzyna Ewa;
Baranowski, Paweł;
Kawczak, Piotr;
Nowakowska, Joanna;
Bączek, Tomasz;
Sączewski, Jarosław;
Caballero, Julio

Publication type:

Article

Carbon Nanotubes Having Haeckelite Defects as Potential Drug Carriers. Molecular Dynamics Simulation.

Published in:

Molecules, 2019, v. 24, n. 23, p. 4281, doi. 10.3390/molecules24234281

By:

Torres, Camila;
Villarroel, Ignacio;
Rozas, Roberto;
Contreras, Leonor;
Caballero, Julio

Publication type:

Article

Computer-Aided Discovery of Small Molecule Inhibitors of Thymocyte Selection-Associated High Mobility Group Box Protein (TOX) as Potential Therapeutics for Cutaneous T-Cell Lymphomas.

Published in:

Molecules, 2019, v. 24, n. 19, p. 3459, doi. 10.3390/molecules24193459

By:

Agrawal, Vibudh;
Su, Mingwan;
Huang, Yuanshen;
Hsing, Michael;
Cherkasov, Artem;
Zhou, Youwen;
Caballero, Julio

Publication type:

Article

Mechanistic and Structural Insights on the IL-15 System through Molecular Dynamics Simulations.

Published in:

Molecules, 2019, v. 24, n. 18, p. 3261, doi. 10.3390/molecules24183261

By:

Sousa, Rui P.;
Laurent, Adèle D.;
Quéméner, Agnès;
Mortier, Erwan;
Le Questel, Jean-Yves;
Caballero, Julio

Publication type:

Article

Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening.

Published in:

Molecules, 2019, v. 24, n. 16, p. 2943, doi. 10.3390/molecules24162943

By:

Ferreira, Elenilze F. B.;
Silva, Luciane B.;
Costa, Glauber V.;
Costa, Josivan S.;
Fujishima, Mayara A. T.;
Leão, Rozires P.;
Ferreira, André L. S.;
Federico, Leonardo B.;
Silva, Carlos H. T. P.;
Rosa, Joaquín M. C.;
Macêdo, Williams J. C.;
Santos, Cleydson B. R.;
Caballero, Julio

Publication type:

Article

Heterologous Machine Learning for the Identification of Antimicrobial Activity in Human-Targeted Drugs.

Published in:

Molecules, 2019, v. 24, n. 7, p. 1258, doi. 10.3390/molecules24071258

By:

Nava Lara, Rodrigo A.;
Aguilera-Mendoza, Longendri;
Brizuela, Carlos A.;
Peña, Antonio;
Del Rio, Gabriel;
Caballero, Julio

Publication type:

Article

Synthesis of diN-Substituted Glycyl-Phenylalanine Derivatives by Using Ugi Four Component Reaction and Their Potential as Acetylcholinesterase Inhibitors.

Published in:

Molecules, 2019, v. 24, n. 1, p. 189, doi. 10.3390/molecules24010189

By:

Prent-Peñaloza, Luis;
de la Torre, Alexander F.;
Velázquez-Libera, José L.;
Gutiérrez, Margarita;
Caballero, Julio;
Kafarski, Pawel

Publication type:

Article

Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data?

Published in:

Molecules, 2018, v. 23, n. 5, p. 1038, doi. 10.3390/molecules23051038

By:

Ramírez, David;
Caballero, Julio

Publication type:

Article

A Novel Class of Selective Acetylcholinesterase Inhibitors: Synthesis and Evaluation of (E)-2-(Benzo[d]thiazol-2-yl)-3- heteroarylacrylonitriles.

Published in:

Molecules, 2012, v. 17, n. 10, p. 12072, doi. 10.3390/molecules171012072

By:

de la Torre, Pedro;
Saavedra, Luis Astudillo;
Caballero, Julio;
Quiroga, Jairo;
Alzate-Morales, Jans H.;
Cabrera, Margarita Gutiérrez;
Trilleras, Jorge

Publication type:

Article

Easy Identification of Residues Involved on Structural Differences Between Nonphosphorylated and Phosphorylated CDK2Cyclin A Complexes Using Two-Dimensional Networks.

Published in:

Molecular Informatics, 2014, v. 33, n. 2, p. 151, doi. 10.1002/minf.201300100

By:

Riadi, Gonzalo;
Caballero, Julio

Publication type:

Article

Diagnosis of the infestation for gastrointestinal nematodes in water buffaloes (Bubalus bubalis) under conditions of production of the province of Havana, Cuba.

Published in:

Revista Veterinaria, 2010, v. 21, n. 1, p. 137

By:

Caballero, Julio David;
López, Eugenio Roque;
Navarrete, Maylín González;
Giménez, Olga Garcete

Publication type:

Article

Continental and Antarctic Lichens: isolation, identification and molecular modeling of the depside tenuiorin from the Antarctic lichen Umbilicaria antarctica as tau protein inhibitor.

Published in:

Natural Product Research, 2020, v. 34, n. 5, p. 646, doi. 10.1080/14786419.2018.1492576

By:

Salgado, Francisco;
Caballero, Julio;
Vargas, Reinaldo;
Cornejo, Alberto;
Areche, Carlos

Publication type:

Article

Mycobacterium tuberculosis serine/threonine protein kinases: structural information for the design of their specific ATP-competitive inhibitors.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 12, p. 1315, doi. 10.1007/s10822-018-0173-3

By:

Caballero, Julio;
Morales-Bayuelo, Alejandro;
Navarro-Retamal, Carlos

Publication type:

Article

2D Autocorrelation Modelling of the Inhibitory Activity of Cytokinin-derived Cyclin-dependent Kinase Inhibitors.

Published in:

Bulletin of Mathematical Biology, 2006, v. 68, n. 4, p. 735, doi. 10.1007/s11538-005-9006-3

By:

González, Maykel Pérez;
Caballero, Julio;
Helguera, Aliuska Morales;
Garriga, Miguel;
González, Gerardo;
Fernández, Michael

Publication type:

Article

Computational Studies of Snake Venom Toxins.

Published in:

Toxins, 2018, v. 10, n. 1, p. 8, doi. 10.3390/toxins10010008

By:

Ojeda, Paola G.;
Ramírez, David;
Alzate-Morales, Jans;
Caballero, Julio;
Kaas, Quentin;
González, Wendy

Publication type:

Article

Direct and Auger Electron-Induced, Single- and Double-Strand Breaks on Plasmid DNA Caused by <sup>99m</sup>Tc-Labeled Pyrene Derivatives and the Effect of Bonding Distance.

Published in:

PLoS ONE, 2016, v. 11, n. 9, p. 1, doi. 10.1371/journal.pone.0161973

By:

Reissig, Falco;
Mamat, Constantin;
Steinbach, Joerg;
Pietzsch, Hans-Juergen;
Freudenberg, Robert;
Navarro-Retamal, Carlos;
Caballero, Julio;
Kotzerke, Joerg;
Wunderlich, Gerd

Publication type:

Article

Flavonoids as CDK1 Inhibitors: Insights in Their Binding Orientations and Structure-Activity Relationship.

Published in:

PLoS ONE, 2016, v. 11, n. 8, p. 1, doi. 10.1371/journal.pone.0161111

By:

Navarro-Retamal, Carlos;
Caballero, Julio

Publication type:

Article

Structural and Affinity Determinants in the Interaction between Alcohol Acyltransferase from F. x ananassa and Several Alcohol Substrates: A Computational Study.

Published in:

PLoS ONE, 2016, v. 11, n. 4, p. 1, doi. 10.1371/journal.pone.0153057

By:

Navarro-Retamal, Carlos;
Gaete-Eastman, Carlos;
Herrera, Raúl;
Caballero, Julio;
Alzate-Morales, Jans H.

Publication type:

Article

Adenosine A<sub>2A</sub> receptor agonists with potent antiplatelet activity.

Published in:

Platelets, 2018, v. 29, n. 3, p. 292, doi. 10.1080/09537104.2017.1306043

By:

Fuentes, Eduardo;
Fuentes, Manuel;
Caballero, Julio;
Palomo, Iván;
Hinz, Sonja;
El-Tayeb, Ali;
Müller, Christa E.

Publication type:

Article

The latest automated docking technologies for novel drug discovery.

Published in:

Expert Opinion on Drug Discovery, 2021, v. 16, n. 6, p. 625, doi. 10.1080/17460441.2021.1858793

By:

Caballero, Julio

Publication type:

Article

Crystal structure of ( E)-2-(benzo[ d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile).

Published in:

Zeitschrift für Kristallographie / New Crystal Structures, 2016, v. 231, n. 1, p. 171, doi. 10.1515/ncrs-2015-0073

By:

De-La-Torre, Pedro;
Gutierrez, Margarita;
Caballero, Julio;
Trilleras, Jorge;
Astudillo, Luis;
Cardenas, Alejandro;
Brito, Ivan

Publication type:

Article

1-Benzyl-1,2,3,4-Tetrahydro-β-Carboline as Channel Blocker of N-Methyl- d-Aspartate Receptors.

Published in:

Chemical Biology & Drug Design, 2012, v. 79, n. 4, p. 594, doi. 10.1111/j.1747-0285.2012.01317.x

By:

Espinoza-Moraga, Marlene;
Caballero, Julio;
Gaube, Friedemann;
Winckler, Thomas;
Santos, Leonardo S.

Publication type:

Article

Binding Studies and Quantitative Structure-Activity Relationship of 3-Amino-1 H-Indazoles as Inhibitors of GSK3β.

Published in:

Chemical Biology & Drug Design, 2011, v. 78, n. 4, p. 631, doi. 10.1111/j.1747-0285.2011.01186.x

By:

Caballero, Julio;
Zilocchi, Szymon;
Tiznado, William;
Collina, Simona;
Rossi, Daniela

Publication type:

Article

Quantitative Structure-Activity Relationship of Organosulphur Compounds as Soybean 15-Lipoxygenase Inhibitors Using CoMFA and CoMSIA.

Published in:

Chemical Biology & Drug Design, 2010, v. 76, n. 6, p. 511, doi. 10.1111/j.1747-0285.2010.01039.x

By:

Caballero, Julio;
Fernández, Michael;
Coll, Deysma

Publication type:

Article

Docking and Quantitative Structure–Activity Relationship Studies for the Bisphenylbenzimidazole Family of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.

Published in:

Chemical Biology & Drug Design, 2008, v. 72, n. 5, p. 360, doi. 10.1111/j.1747-0285.2008.00716.x

By:

Lagos, Carlos F.;
Caballero, Julio;
Gonzalez-Nilo, Fernando D.;
David Pessoa-Mahana, Carlos;
Perez-Acle, Tomas

Publication type:

Article

Proteochemometric Modeling of the Inhibition Complexes of Matrix Metalloproteinases with N-Hydroxy-2-[(Phenylsulfonyl)Amino]Acetamide Derivatives Using Topological Autocorrelation Interaction Matrix and Model Ensemble Averaging.

Published in:

Chemical Biology & Drug Design, 2008, v. 72, n. 1, p. 65, doi. 10.1111/j.1747-0285.2008.00675.x

By:

Fernández, Michael;
Fernández, Leyden;
Caballero, Julio;
Abreu, José Ignacio;
Reyes, Grethel

Publication type:

Article

Quantitative Structure–Activity Relationship Modeling of Growth Hormone Secretagogues Agonist Activity of some Tetrahydroisoquinoline 1-Carboxamides.

Published in:

Chemical Biology & Drug Design, 2007, v. 69, n. 1, p. 48, doi. 10.1111/j.1747-0285.2007.00467.x

By:

Caballero, Julio;
Zampini, Fabio M.;
Collina, Simona;
Fernández, Michael

Publication type:

Article

Ensembles of Bayesian-regularized Genetic Neural Networks for Modeling of Acetylcholinesterase Inhibition by Huprines.

Published in:

Chemical Biology & Drug Design, 2006, v. 68, n. 4, p. 201, doi. 10.1111/j.1747-0285.2006.00435.x

By:

Fernández, Michael;
Caballero, Julio

Publication type:

Article

In-Silico Design, Synthesis and Evaluation of a Nanostructured Hydrogel as a Dimethoate Removal Agent.

Published in:

Nanomaterials (2079-4991), 2018, v. 8, n. 1, p. 23, doi. 10.3390/nano8010023

By:

Avila-Salas, Fabian;
Marican, Adolfo;
Villaseñor, Jorge;
Arenas-Salinas, Mauricio;
Argandoña, Yerko;
Caballero, Julio;
Durán-Lara, Esteban F.

Publication type:

Article

A genome-wide association analysis reveals a potential role for recombination in the evolution of antimicrobial resistance in Burkholderia multivorans.

Published in:

PLoS Pathogens, 2018, v. 14, n. 12, p. 1, doi. 10.1371/journal.ppat.1007453

By:

Diaz Caballero, Julio;
Guttman, David S.;
Clark, Shawn T.;
Hwang, David M.;
Yau, Yvonne C. W.;
Wang, Pauline W.;
Donaldson, Sylva L.;
Coburn, Bryan;
Tullis, D. Elizabeth;
Waters, Valerie J.

Publication type:

Article

K channels in plants and animals.

Published in:

Pflügers Archiv: European Journal of Physiology, 2015, v. 467, n. 5, p. 1091, doi. 10.1007/s00424-014-1638-4

By:

González, Wendy;
Valdebenito, Braulio;
Caballero, Julio;
Riadi, Gonzalo;
Riedelsberger, Janin;
Martínez, Gonzalo;
Ramírez, David;
Zúñiga, Leandro;
Sepúlveda, Francisco;
Dreyer, Ingo;
Janta, Michael;
Becker, Dirk

Publication type:

Article

Models of the pharmacophoric pattern and affinity trend of methyl 2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate derivatives as σ 1 ligands.

Published in:

Molecular Simulation, 2012, v. 38, n. 3, p. 227, doi. 10.1080/08927022.2011.614243

By:

Caballero, Julio;
Zilocchi, Szymon;
Tiznado, William;
Rossi, Daniela;
Collina, Simona

Publication type:

Article

Proteometric modelling of protein conformational stability using amino acid sequence autocorrelation vectors and genetic algorithm-optimised support vector machines.

Published in:

Molecular Simulation, 2008, v. 34, n. 9, p. 857, doi. 10.1080/08927020802301920

By:

Fernández, Michael;
Fernández, Leyden;
Sanchez, Pedro;
Caballero, Julio;
Abreu, Jose Ignacio

Publication type:

Article

Comparative modeling of the conformational stability of chymotrypsin inhibitor 2 protein mutants using amino acid sequence autocorrelation (AASA) and amino acid 3D autocorrelation (AA3DA) vectors and ensembles of Bayesian-regularized genetic neural networks

Published in:

Molecular Simulation, 2007, v. 33, n. 13, p. 1045, doi. 10.1080/08927020701564479

By:

Fernández, Michael;
Abreu, José Ignacio;
Caballero, Julio;
Garriga, Miguel;
Fernández, Leyden

Publication type:

Article

Improved Pharmacological Properties for Superoxide Dismutase Modified with Carboxymethycellulose.

Published in:

Journal of Bioactive & Compatible Polymers, 2005, v. 20, n. 6, p. 557, doi. 10.1177/0883911505059068

By:

Dominguez, Amalia;
Valdivia, Aimara;
Caballero, Julio;
Villalonga, Reynaldo;
Martínez, Gregorio;
Schacht, Etienne H.

Publication type:

Article

Docking and quantitative structure–activity relationship of bi-cyclic heteroaromatic pyridazinone and pyrazolone derivatives as phosphodiesterase 3A (PDE3A) inhibitors.

Published in:

PLoS ONE, 2017, v. 12, n. 12, p. 1, doi. 10.1371/journal.pone.0189213

By:

Muñoz-Gutiérrez, Camila;
Cáceres-Rojas, Daniela;
Adasme-Carreño, Francisco;
Palomo, Iván;
Fuentes, Eduardo;
Caballero, Julio

Publication type:

Article

Docking and quantitative structure-activity relationship of oxadiazole derivates as inhibitors of GSK3 $$\upbeta $$.

Published in:

Molecular Diversity, 2014, v. 18, n. 1, p. 149, doi. 10.1007/s11030-013-9483-5

By:

Quesada-Romero, Luisa;
Caballero, Julio

Publication type:

Article

Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM).

Published in:

Molecular Diversity, 2011, v. 15, n. 1, p. 269, doi. 10.1007/s11030-010-9234-9

By:

Fernandez, Michael;
Caballero, Julio;
Fernandez, Leyden;
Sarai, Akinori

Publication type:

Article