Man

Gerald Amílcar Zapata Torres

Profesor Asociado

Universidad de Chile

Santiago, Chile

Líneas de Investigación


molecular modeling of biological systems; chemical reactivity using quantum mechanics methodologies; molecular modeling of protein ligand interactions; computational biology

Educación

  •  Química Teórica Computacional / Química Médica, UNIVERSIDAD DE CHILE. Chile, 2002
  •  Química, UNIVERSIDAD DE CHILE. Chile, 1991

Experiencia Académica

  •   Prof. Asociado Full Time

    UNIVERSIDAD DE CHILE

    Ciencias Químicas y Farmaceúticas

    Santiago, Chile

    2005 - A la fecha

Experiencia Profesional

  •   Inserción a la academia Conicyt Full Time

    Universidad de Chile

    Chile

    2005 - 2008

Premios y Distinciones

  •   Reconocimiento de Universidad de Chile

    UNIVERSIDAD DE CHILE

    Chile, 2013

    A los 52 investigadore(as) y grupos que publicaron sus trabajos como autor correspondiente, en revistas internacionales ISI-WOS ubicadas en el 10% superior de sus respectivas disciplinas y que son reconocidas internacionalmente como de excelencia


 

Article (76)

5-HT2 Receptor Subfamily and the Halogen Bond Promise
Major Histocompatibility Complex Class I-Related Chain A (MICA) Allelic Variants Associate With Susceptibility and Prognosis of Gastric Cancer
Dibenzofuranylethylamines as 5-HT(2A/2C )Receptor Agonists
Influence of DM beta CD on the Interaction of Copper(II) Complex of 6-Hydroxychromone-3-carbaldehyde-3-hydroxybenzoylhydrazine with ctDNA
Molecular modeling of salsolinol, a full G(i) protein agonist of the mu-opioid receptor, within the receptor binding site
Intense White Molecular Fluorescence from Naphthoxazole-Quinoline Derivatives
Racemic salsolinol and its enantiomers act as agonists of the mu-opiod receptor by activating the Gi protein adenylate cyclase pathway
Racemic Salsolinol and its Enantiomers Act as Agonists of the mu-Opioid Receptor by Activating the Gi Protein-Adenylate Cyclase Pathway
Synthesis and Docking of Novel 3-indolylpropyl derivatives as new polypharmacological agents displaying affinity for 5-HT1AR/SERT
Synthesis and Docking of Novel 3-Indolylpropyl Derivatives as New Polypharmacological Agents Displaying Affinity for 5-HT1AR/SERT
Spectroscopic studies of the interaction of 3-(2-thienyl)-[1,2,3]triazolo[1,5-a]pyridine with 2,6-dimethyl-?-cyclodextrin and ctDNA
Spectroscopic studies of the interaction of 3-(2-thienyl)-[1,2,3]triazolo[1,5-a]pyridine with 2,6-dimethyl-beta-cyclodextrin and ctDNA
Why p-OMe- and p-Cl-β-Methylphenethylamines Display Distinct Activities upon MAO-B Binding,
Why p-OMe- and p-Cl-?-Methylphenethylamines display distinct activities upon MAO-B binding
"Interaction of LD14 and TiO2 in dye-sensitized solar-cells (DSSC): A density functional theory study"
Revealing Monoamine Oxidase B Catalytic Mechanisms by Means of the Quantum Chemical Cluster Approach
"Supramolecular assemblies of phenyl-pyridyl-triazolopyridine and beta-cyclodextrin as sensor of divalent cations in aqueous solution."
Experimental and theoretical studies of the photophysics of 7-amino-3-phenyl-2H-benzo[b] [1,4]oxazin-2-one in homogeneous solvents and beta-cyclodextrin aqueous solutions
Interaction of LD14 and TiO2 in dye-sensitized solar-cells (DSSC): A density functional theory study
Molecular dynamics simulation of halogen bonding mimics experimental data for cathepsin L inhibition
Molecular dynamics simulation of halogen bonding mimics experimental data for cathepsin L inhibition
Revealing Monoamine Oxidase B Catalytic Mechanisms by Means of the Quantum Chemical Cluster Approach
Supramolecular assemblies of phenyl-pyridyl-triazolopyridine and beta-cyclodextrin as sensor of divalent cations in aqueous solution
“Revealing Monoamine Oxidase B Catalytic Mechanisms by Means of the Quantum Chemical Cluster Approach”.
Detecting Ni(II) in aqueous solution by 3-(2-pyridyl)-[1,2,3]triazolo[1,5-a]pyridine and dimethyl-beta-cyclodextrin
A novel dihydropyridine with 3-aryl meta-hydroxyl substitution blocks L-type calcium channels in rat cardiomyocytes
A novel dihydropyridine with 3-aryl meta-hydroxyl substitution blocks L-type calcium channels in rat cardiomyocytes
Detecting Ni(II) in aqueous solution by 3-(2-pyridyl)-[1,2,3]triazolo[1,5-a]pyridine and dimethyl-beta-cyclodextrin
Factors affecting the competitive reduction of 8,8-dimethylnaphthalene-1,4,5(8H)-trione in a Diels-Alder cycloaddition with hydroxysulfinyldienes
“Factors affecting the competitive reduction of 8,8-dimethylnaphthalene-1,4,5(8H)-trione in a Diels-Alder cycloaddition with hydroxysulfinyldienes.
Remote Regio- and Stereocontrol by the Sulfinyl Group. Diels-Alder Reaction of Sulfinyl Dienols and 8,8-Dimethylnaphthalene-1,4,5(8H)-Trione
Remote regio- and stereocontrol by the sulfinyl group: Diels-Alder reaction of sulfinyl dienols and 8,8-dimethylnaphthalene-1,4,5(8H)-trione
Selected hydroxycoumarins as antioxidants in cells: physicochemical and reactive oxygen species scavenging studies
Selected hydroxycoumarins as antioxidants in cells: physicochemical and reactive oxygen species scavenging studies
Structural elucidation of supramolecular alpha-cyclodextrin dimer/aliphatic monofunctional molecules complexes
Structural Elucidation of Supramolecular Alpha-Cyclodextrin Dimer/Aliphatic Monofunctional Molecules Complexes
Synthesis, docking and pharmacological evaluation of novel homo- and hetero-bis 3-piperazinylpropylindole derivatives at SERT and 5-HT1A receptor
Synthesis, docking and pharmacological evaluation of novel homo- and hetero-bis 3-piperazinylpropylindole derivatives at SERTand 5-HT1A receptor
Biological and chemical study of fused tri- and tetracyclic indazoles and analogues with important antiparasitic activity
Biological and chemical study of fused tri- and tetracyclic indazoles and analogues with important antiparasitic activity
Effect of the electrostatic potential on the internalization mechanism of cell penetrating peptides
Effect of the electrostatic potential on the internalization mechanism of cell penetrating peptides derived from TIRAP
Influence of Protonation on Substrate and Inhibitor Interactions at the Active Site of Human Monoamine Oxidase-A
Influence of Protonation on Substrate and Inhibitor Interactions at the Active Site of Human Monoamine Oxidase-A
Synthesis, 5-Hydroxytryptamine(1A) Receptor Affinity and Docking Studies of 3-[3-(4-Aryl-1-piperazinyl)-propyl]-1H-Indole Derivatives
Synthesis, 5-Hydroxytryptamine(1A) Receptor Affinity and Docking Studies of 3-[3-(4-Aryl-1-piperazinyl)-propyl]-1H-Indole Derivatives
Synthesis, Docking Studies and Biological Evaluation of Benzo[b]thiophen-2-yl-3-(4-arylpiperazin-1-yl)-propan-1-one Derivatives on 5-HT1A Serotonin Receptors
Synthesis, Docking Studies and Biological Evaluation of Benzo[b]thiophen-2-yl-3-(4-arylpiperazin-1-yl)-propan-1-one Derivatives on 5-HT1A Serotonin Receptors
Phosphatidylinositol 3-kinase interacts with the glucocorticoid receptor upon TLR2 activation
Phosphatidylinositol 3-kinase interacts with the glucocorticoid receptor upon TLR2 activation
Inclusion Complexes of Cyclodextrins with Galangin: a Thermodynamic and Reactivity Study
Inclusion Complexes of Cyclodextrins with Galangin: a Thermodynamic and Reactivity Study
Molecular Determinants for Competitive Inhibition of alpha 4 beta 2 Nicotinic Acetylcholine Receptors
Molecular Determinants for Competitive Inhibition of alpha4beta2 Nicotinic Acetylcholine Receptors
Theoretical EPR study of Nitroindazoles: 3-alkoxy, 3-hydroxy and 3-oxo derivatives
Theoretical EPR study of Nitroindazoles: 3-Alkoxy, 3-Hydroxy and 3-Oxo Derivatives
Voltammetric reduction of 4-nitroimidazole derivatives: Influence of the N-1 substitution in protic and aprotic media
Molecular modeling of the alpha 9 alpha 10 nicotinic acetylcholine receptor subtype
Photoreduction of Oxoisoaporphines by Amines: Laser Flash and Steady-State Photolysis, Pulse Radiolysis, and TD-DFT Studies
Characterization, phase-solubility, and molecular modeling of inclusion complex of 5-nitroindazole derivative with cyclodextrins
Quantum-chemical, NMR and X-ray diffraction studies on (+/-)-1-[3,4-(methylenedioxy)phenyl]-2-methylaminopropane
Studies of inclusion complexes of natural and modified cyclodextrin with (+)catechin by NMR and molecular modeling
Neurochemical and behavioural characterisation of alkoxyamphetamine derivatives in rats
A theory of protein-resin interaction in hydrophobic interaction chromatography
Theoretical study of the interaction d(10)-s(2) between Pt(0) and Tl(I) on the [Pt(PH3)(3)Tl](+) complex
1-Benzyl-1,2,3,4-tetrahydroisoquinolines. 1H NMR conformational studies and rotational barriers
1-benzyl-1,2,3,4-tetrahydroisoquinolines. H-1 NMR conformational studies and rotational barriers
1-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINES: ¹H NMR CONFORMATIONAL STUDIES AND ROTATIONAL BARRIERS
Analgesic and behavioral effects of amphetamine enantiomers, p-methoxyamphetamine and n-alkyl-p-methoxyamphetamine derivatives
Effects of natural flavones and flavonols on the kinase activity of Cdk5
GEOMETRICAL ISOMERISM IN ?-NITROSTYRENES: PREFERRED CONFORMATIONS OF (E)- AND (Z)- 1-(4-METHYLTHIOPHENYL)-2-NITROBUTENES
Geometrical isomerism in beta-nitrostyrenes: Preferred conformations of (E)- and (Z)-1-(4-methylthiophenyl)-2-nitrobutenes
Molecular Orbital Calculations of Hydrogen Bonding in Ammonia - Formic Acid System in the Presence of Electric Fields
Probing the hydride transfer process in the lumiflavine1-methylnicotinamide model system using group softness
Theoretical study of the d(10)-d(8) interaction between Au(I) and Au(III) on the cis/trans-[PH3Au(I)C(L)=C(L)Au(III)(R)(2)PH3] (R = -H -CH3; L = -H, -CH3) systems
Metallomacrocycle complex bridged polymers: electronic structures of -[MacM(L)](n)

Abstract (1)

Crystal structure of potassium antimony hexathiodiphosphate, KSbP2S6

Proyecto (9)

DESIGN, SYNTHESIS AND BIOLOGICAL ASSAYS OF BIOMETAL CHELATORS, MONOAMINE OXIDASE-B AND CHOLINESTERASE INHIBITOR HYBRIDS AS MULTI-TARGET AGENTS AGAINST NEURODEGENERATIVE DISEASES.
“beta-Cyclodextrin assisted solubilization of chromone Schiff base metal complexes to be used as a potential antitumoral target binders”.
MOLECULAR DETERMINANTS OF AFFINITY AND EFFICACY IN SUPERPOTENT 5-HT2 RECEPTOR LIGANDS
SUPRAMOLECULAR CHEMISTRY AT INTERFACES=>LIGHT-ABSORPTION PROCESS IN ENERGY CONVERSION AND ELECTROCATALYSIS ON GOLD ELECTRODE. A COMPUTATIONAL CHEMISTRY STUDY.
SEARCHING FOR POSSIBLE DEPROTONATION SITES FOR SUBSTRATES AND INHIBITORS OF HUMAN MAO-A
STUDY OF THE INTERACTION OF BIVALENT METALS WITH COMPLEXES OF CICLODEXTRINS-TRIAZOLOPYRIDINE DERIVATIVE AS A NEW TYPE OF CHEMOSENSOR
HALOGEN BONDS IN DRUG DESIGN=> EXAMPLES IN THE MONOAMINERGIC AREA
DESIGN, SYNTHESIS AND PHARMACOLOGICAL EVALUATION OF DUAL NICOTINIC AGONIST AND MOA-B INHIBITORS ACTIVITY FOR REGULATION OF DOPAMINE LEVEL IN THE BRAIN.
MOLECULAR MODELLING STUDIES ON THE EFFECTS OF LIGAND-BINDING SITE CONFORMATIONS ON FUNCTIONAL SELECTIVITY IN MAO-A AND 5-HT2 RECEPTORS.

Review (1)

Targeting ? -(1,4)-Glucosidase in Diabetes Mellitus Type 2: The Role of New Synthetic Coumarins as Potent Inhibitors
54
Gerald Zapata

Profesor Asociado

Química Inorgánica y Analítica

Universidad de Chile

Santiago, Chile

8
claudio olea

Full Professor

Inorganica y Analitica

UNIVERSIDAD DE CHILE

Santiago, Chile

8
CAROLINA JULLIAN

Profesor Asociado

Quimica Organica y Fisicoquimica

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

6
Ramiro Araya

UNIVERSIDAD DE CHILE, FAC. CIENCIAS QUÍMICAS Y FARMACÉUTICAS, DPTO. QUÍMICA ORGÁNICA Y FISICOQUÍMICA

Santiago, Chile

6
Fernando Mendizabal

Full Professor

Chemistry

UNIVERSIDAD DE CHILE - FACULTAD DE CIENCIAS

Santiago, Chile

5
Bruce Cassels

Profesor Titular

Departamento de Química

UNIVERSIDAD DE CHILE, FACULTAD DE CIENCIAS, DEPARTAMENTO DE QUÍMICA

Santiago, Chile

4
Angelica Fierro

Associate

Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

4
Miguel Reyes

Full Professor

Facultad de Ciencias Médicas

UNIVERSIDAD DE SANTIAGO DE CHILE, FACULTAD DE CIENCIAS MÉDICAS, ESCUELA DE MEDICINA

Santiago, Chile

3
CLAUDIO SAITZ

Associate Prof.

Organic and Phisycal Chemistry

UNIVERSIDAD DE CHILE-FAC. CS. QUIMICAS Y FARMACEUTICAS

Santiago, Chile

3
José Salgado

Associate Professor

Chemical Engineering, Biotechnology and Materials

UNIVERSIDAD DE CHILE

Santiago, Chile

3
Alvaro Cañete

Profesor-investigador

instituto de ciencias químicas aplicadas

Universidad Autónoma de Chile

Santiago, Chile

2
Iriux Almodóvar

Académico

Ciencias del Ambiente

Universidad de Santiago de Chile

Santiago, Chile

2
Marcela Hermoso

Full Professor

School of Medicine

UNIVERSIDAD DE CHILE

Santiago, Chile

2
Julio De La Fuente

Profesor Asociado

Química Orgánica y Fisicoquímica

FAC. CS. QUÍMICAS Y FARMACÉUTICAS, UNIVERSIDAD DE CHILE

Santiago, Chile

2
Horacio Gomez

Docente a honorarios

Química Orgánica y Fisicoquímica

Universidad de Chile

Santiago, Chile

2
Sebastián Miranda

Profesor Asistente

Departamento de Ciencias Químicas

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

2
Wilson Cardona

Chemistry Department Area Coordinator

Chemistry

Universidad Andrés Bello

Talcahuano, Chile

2
Paul Silva

Profesor

Química Orgánica y Fisicoquímica

Universidad de Chile

Santiago, Chile

1
Renato Contreras

professor

Quimica

Universidad de Chile

Santiago, Chile

1
Ricardo Maccioni

DIRECTOR

RESEARCH AND DEVELOPMENT

CENTRO INTERNACIONAL DE BIOMEDICINA (ICC)

SANTIAGO, Chile

1
Maria González

Academico

FACULTAD DE MEDICINA - UNIVERSIDAD DE CHILE

Santiago, Chile

1
Javier Morales

Profesor Asociado

Departamento de Ciencias y Tecnología Farmacéuticas

Universidad de Chile

Santiago, Chile

1
Felipe Opazo

Group Leader

Center for Biostructural Imaging of Neuodegeneration (BIN)

Göttingen, Alemania

1
Germán Barriga

Asociado

Quimica

Universidad Metropolitana de Ciencias de la Educación

Ñuñoa, Chile

1
Sergio Lavandero

Director

Advanced Center for Chronic Diseases (ACCDiS)

UNIVERSIDAD DE CHILE, FAC CIENCIAS QUÍMICAS Y FARMACÉUTICAS

Santiago, Chile

1
Carolina Mascayano

Académico

Ciencias del Ambiente

UNIVERSIDAD DE SANTIAGO DE CHILE, FACULTAD DE QUÍMICA Y BIOLOGIA

santiago, Chile

1
JAIME MELLA

PROFESOR ADJUNTO

INSTITUTO DE QUIMICA Y BIOQUIMICA

UNIVERSIDAD DE VALPARAISO

VALPARAISO, Chile

1
Michel Lapier

Investigador Postdoctoral

ICBM

Universidad de Chile

Santiago, Chile

1
Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

1
Juan Squella

Académico

Química Orgánica y Físico Química

UNIVERSIDAD DE CHILE, FACULTAD DE CIENCIAS QUÍMICAS Y FARMACÉUTICAS

Santiago, Chile

1
Camilo López

prof. Asociado

Química Física

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Juan Asenjo

Professor

CHEMICAL AND BIOTECHNOLOGY ENGINEERING

University of Chile

SANTIAGO, Chile

1
Ziomara Gerdtzen

Profesora Asociada

Departamento de Ingeniería Química, Biotecnología y Materiales

Universidad de Chile

Santiago, Chile

1
Juan Maya

Full Professor

Biomedical Sciences Institute

UNIVERSIDAD DE CHILE

Santiago, Chile

1
Lorena Barrientos

Profesor Asistente

Pontificia Universidad Católica de Chile

Santiago, Chile

1
Lucia Nuñez

ENCARGADA DE VALORACION

FACULTAD DE CIENCIAS VETERINARIAS Y PECUARIAS

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

1
EDWIN PÉREZ

Profesor Asociado

Departamento de Química Orgánica

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

1
Patricio Iturriaga

Profesor Asociado A

Ciencias Quimicas y Recursos Naturales

UNIVERSIDAD DE LA FRONTERA

Temuco, Chile

1
Sergio Arancibia

Medical Science Liaison

Medical Affairs

Johnson & Johnson (Janssen Pharmaceutical)

Santiago, Chile

1
Carla Delporte

Profesor titular

Química Farmacológica y Toxicológica

UNIVERSIDAD DE CHILE, FACULTAD CIENCIAS QUÍMICAS Y FARMACÉUTICAS

SANTIAGO, Chile

1
SOLEDAD BOLLO

PROFESOR TITULAR

QUIMICA FARMACOLÓGICA Y TOXICOLÓGICA

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

1
Carlos Pessoa

Profesor Titular

Departamento de Farmacia

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Francisco Mura

Investigador postdoctoral

Química y Biología

Universidad de Santiago de Chile

Santiago, Chile

1
Fernanda Perez

Investigadora senior principal

Síntesis orgánica

Ientropia SPA

Santiago, Chile

1
Jorge Rodriguez

Professor

Department of Chemistry

UNIVERSIDAD METROPOLITANA DE CIENCIAS DE LA EDUCACIÓN

La Florida, Chile

1
Cinthia Quiroga

Docente a honorarios

Quimica Organica y Fisicoquimica

Universidad de Chile

Santiago, Chile

1
Pablo Berríos

Asistente de investigación

Universidad del Desarrollo

Santiago, Chile

1
Mario Herrera-Marschitz

Profesor titular

Mol. & Clin. Pharmacology

UNIVERSIDAD DE CHILE, FACULTAD DE MEDICINA, PROGRAMA FARMACOLOGIA MOLECULAR & CLINICA, ICBM

Santiago, Chile

1
Gabriela Valenzuela

Profesor del Laboratorio de Productos Naturales

Química Farmacológica y Toxicológica

Universidad de Chile

Santiago, Chile

1
ANDREA MAHN

Profesor Titular

Ingeniería Química

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
ANTONIO GALDAMEZ

ASSOCIATE PROFESSOR

CHEMISTRY

DEPARTAMENTO DE QUÍMICA, FACULTAD DE CIENCIA, UNIVERSIDAD DE CHILE

SANTIAGO, Chile

1
Rubén Veas

Docente

Química farmacológica y toxicológica

Universidad de Chile

Santiago, Chile