Enfoque geográfico
- Chile Campus
Cerrar
Cabrera Pérez, Miguel Angel
Áreas de investigación
Visión General
Publicaciones
publicaciones seleccionadas
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artículo editorial
- Modeling and Simulations in Latin-American Generic Markets: Perspectives from Chilean Local Industry, Regulatory Agency, and Academia. Molecular Pharmaceutics. 2024
- Reliable Prediction of Caco-2 Permeability by Supervised Recursive Machine Learning Approaches. Pharmaceutics. 2022
- Integration of In Silico, In Vitro and In Situ Tools for the Preformulation and Characterization of a Novel Cardio-Neuroprotective Compound during the Early Stages of Drug Development. Pharmaceutics. 2022
- A Novel Automated Framework for QSAR Modeling of Highly Imbalanced Leishmania High-Throughput Screening Data. Journal of Chemical Information and Modeling. 2021
- ADME prediction with KNIME: A retrospective contribution to the second “Solubility Challenge”. ADMET and DMPK. 2021
- ICH Guideline for Biopharmaceutics Classification System-Based Biowaiver (M9): Toward Harmonization in Latin American Countries. Pharmaceutics. 2021
- Policy of Multisource Drug Products in Latin America: Opportunities and Challenges on the Application of Bioequivalence In Vitro Assays. Therapeutic Innovation & Regulatory Science. 2021
- ADME Prediction with KNIME: In silico aqueous solubility models based on supervised recursive machine learning approaches 2020
- ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability. Journal of Chemical Information and Modeling. 2020
- Equilibrium solubility using shake-flask method of JM-20: a synthetic molecule with neuroprotective action. Journal of Pharmacy & Pharmacognosy Research. 2020
- Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines. Biopharmaceutics & Drug Disposition. 2018
- Computational modeling of human oral bioavailability: what will be next?. Expert Opinion on Drug Discovery. 2018
- Biowaiver or Bioequivalence: Ambiguity in Sildenafil Citrate BCS Classification. AAPS PharmSciTech. 2018
- Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling. Molecular Diversity. 2015
- The efficacy of 2-nitrovinylfuran derivatives against Leishmania in vitro and in vivo. Memórias do Instituto Oswaldo Cruz. 2015
- Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?. Molecular Diversity. 2014
- FDA-approved drugs selected using virtual screening bind specifically to G-quadruplex DNA. Current pharmaceutical design. 2013
- Provisional classification and in silico study of biopharmaceutical system based on caco-2 cell permeability and dose number.. Molecular Pharmaceutics. 2013
- The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability. Molecular Informatics. 2013
- Thermodynamic computational approach to capture molecular recognition in the binding of different inhibitors to the DNA gyrase B subunit from Escherichia coli. Journal of Molecular Modeling. 2013
- Computational tools in the discovery of new G-quadruplex ligands with potential anticancer activity. Current Topics in Medicinal Chemistry. 2012
- GA (M) E-QSAR: a novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design. Journal of Chemical Information and Modeling. 2012
- QSPR in Oral Bioavailability: Specificity or Integrality?. Mini-Reviews in Medicinal Chemistry. 2012
- Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives. European Journal of Medicinal Chemistry. 2011
- Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation Protein-ligand interactions in the light of the alanine scanning and free energy decomposition methods. Journal of Molecular Graphics & Modelling. 2011
- In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Molecular Informatics. 2011
- Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling. Journal of Computer-Aided Molecular Design. 2011
- QSAR model for predicting binding affinity to adenosine A(2B) receptors based on chromone scaffold. Purinergic Signalling. 2010
- Análisis inferencial de las potencialidades de promoción de absorción de una familia de 1-O-alquil gliceroles. Revista Cubana de Farmacia. 2009
- COMPUTATIONAL MODELS TO EXPLAIN THE RELATIONSHIP AMONG P-GLYCOPROTEIN, CYP3A4 AND BIOAVAILABILITY FROM MOLECULAR STRUCTURE. Drugs of the Future. 2009
- Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure. European Journal of Medicinal Chemistry. 2009
- Telomerase Inhibitory Activity of Acridinic Derivatives: A 3D-QSAR Approach. Qsar & Combinatorial Science. 2009
- Bacterial beta-ketoacyl-acyl carrier protein synthase III (FabH): An attractive target for the design of new broad-spectrum antimicrobial agents. Mini-Reviews in Medicinal Chemistry. 2008
- Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues. Chemometrics and Intelligent Laboratory Systems. 2008
- QSAR modeling of the rodent carcinogenicity of nitrocompounds. Bioorganic & Medicinal Chemistry. 2008
- Quantitative Structure- Carcinogenicity Relationship for Detecting Structural Alerts in Nitroso Compounds: Species, Rat; Sex, Female; Route of Administration, Gavage. Chemical Research in Toxicology. 2008
- Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds - Species: Rat; Sex: Male; Route of administration: Water. Toxicology and Applied Pharmacology. 2008
- QSAR modeling for predicting carcinogenic potency of nitroso-compounds using 0D-2D molecular descriptors 2007
- Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds. Toxicology and Applied Pharmacology. 2007
- Telomerase inhibitory activity by stabilization of G-quartet: A QSAR approach using 2D autocorrelation descriptors.. 11th International Electronic Conference on Synthetic Organic Chemistry (ECSOC-11). 2007
- A radial-distribution-function approach for predicting rodent carcinogenicity. Journal of Molecular Modeling. 2006
- A topological substructural approach for the prediction of P-glycoprotein substrates. Journal of Pharmaceutical Sciences. 2006
- Application of the replacement method as a novel variable selection strategy in QSAR. 1. Carcinogenic potential. Chemometrics and Intelligent Laboratory Systems. 2006
- Quantitative structure activity relationship for the computational prediction of nitrocompounds carcinogenicity. Toxicology. 2006
- A topological substructural approach applied to the computational prediction of rodent carcinogenicity. Bioorganic & Medicinal Chemistry. 2005
- Prediction of intestinal epithelial transport of drug in (Caco-2) cell culture from molecular structure using in silico approaches during early drug discovery. Internet Electronic Journal of Molecular Design. 2005
- Quantitative structure-activity relationship to predict toxicological properties of benzene derivative compounds. Bioorganic & Medicinal Chemistry. 2005
- The Prediction of Carcinogenicity from Molecular Structure. Current Computer-Aided Drug Design. 2005
- Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species: distribution of the antimicrobial G1 on rat tissues. Bioorganic & Medicinal Chemistry Letters. 2005
- A new topological descriptors based model for predicting intestinal epithelial transport of drugs in caco-2 cell culture.. Journal of Pharmacy and Pharmaceutical Sciences. 2004
- A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis. Bioorganic & Medicinal Chemistry. 2004
- A topological sub-structural approach for predicting human intestinal absorption of drugs. European Journal of Medicinal Chemistry. 2004
- In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS-MODE approach. Bioorganic & Medicinal Chemistry. 2004
- TOPS-MODE approach for the prediction of blood-brain barrier permeation. Journal of Pharmaceutical Sciences. 2004
- 3D-MEDNEs: An alternative "in silico" technique for chemical research in toxicology. 1. Prediction of chemically induced agranulocytosis. Chemical Research in Toxicology. 2003
- A topological-substructural molecular design (TOPS-MODE) approach to determining pharmacokinetics and pharmacological properties of 6-fluoroquinolone derivatives. European Journal of Pharmaceutics and Biopharmaceutics. 2003
- Markovian chemicals 'in silico' design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds. Journal of Molecular Modeling. 2003
- TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides. Journal of Chemical Information and Computer Sciences. 2003
- Total and local quadratic indices of the "molecular pseudograph's atom adjacency matrix". Application to prediction of Caco-2 permeability of drugs. International Journal of Molecular Sciences. 2003
- A novel approach to determining physicochemical and absorption properties of 6-fluoroquinolone derivatives: experimental assessment. European Journal of Pharmaceutics and Biopharmaceutics. 2002
- Estudio de la permeabilidad y distribución del [3H] 1-(5-Bromofur-2-il)-2-bromo-2-nitroeteno luego de su administración percutánea en ratas. Acta Farmacéutica Bonaerense. 2001
- Computational and Pharmacoinformatic Approaches to Oral Bioavailability Prediction. Oral Bioavailability: Basic Principles, Advanced Concepts, and Applications.
- EVALUACIÓN DE LA ACTIVIDAD ANTITELOMERASA POR ESTABILIZACIÓN DEL CUARTETO-G EN ACRIDINAS MEDIANTE EL EMPLEO DE DESCRIPTORES 1D DEL DRAGÓN.
- Estudio de la estabilización del Cuarteto-G, mediante el empleo de descriptores 1D del Dragón.. Páncreas.
- TOPS-MODE Versus DRAGON Descriptors in QSAR. 3. Soils Sorption.
- Unify Markov model for rational design and synthesis of more safe drugs. Predicting multiple drugs side effects
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documento
- Importance and applications of cell- and tissue-based in vitro models for drug permeability screening in early stages of drug development. Concepts and Models for Drug Permeability Studies. 2016
- Bacterial FabH: Towards the Discovery of New Broad-Spectrum Antibiotics. Recent Advances in Medicinal Chemistry. 2014
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documento de conferencia
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libro
Investigación
Palabras clave
- ADMET
- Bioavailability and Bioequivalence
- Biopharmaceutics Classification System
- QSPR
- in vivo-in
Contacto
nombre completo
- Miguel Angel Cabrera Pérez
correo electrónico principal
- miguel.cabrera@ucn.cl
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ubicado en las instalaciones
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