artículo académico

• Antibacterial and Antiviral Properties of Chenopodin-Derived Synthetic Peptides.  ANTIBIOTICS-BASEL.  13(1). 2024
• Druggable cavities and allosteric modulators of the cell division cycle 7 (CDC7) kinase.  JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY.  39(1). 2024
• Enzymatic Metabolic Switches of Astrocyte Response to Lipotoxicity as Potential Therapeutic Targets for Nervous System Diseases.  PHARMACEUTICALS.  17(5). 2024
• ANTI-INFLAMMATORY EFFECT OF IZALPININ DERIVED FROM CHROMOLAENA LEIVENSIS: ¿-CARRAGEENAN-INDUCED PAW EDEMA AND IN SILICO MODEL.  MOLECULES.  28(9). 2023
• IRIDOID ESTERS FROM VALERIANA PAVONII POEPP. & ENDL. AS GABAA MODULATORS: STRUCTURAL INSIGHTS IN THEIR BINDING MODE AND STRUCTURE-ACTIVITY RELATIONSHIP.  JOURNAL OF PHARMACY & PHARMACOGNOSY RESEARCH.  11(3):367-380. 2023
• NETWORK PHARMACOLOGY AND TOPOLOGICAL ANALYSIS ON TIBOLONE METABOLITES AND THEIR MOLECULAR MECHANISMS IN TRAUMATIC BRAIN INJURY.  BIOMEDICINE & PHARMACOTHERAPY.  165. 2023
• TRENDS AND CHALLENGES IN CHEMOINFORMATICS RESEARCH IN LATIN AMERICA.  ARTIFICIAL INTELLIGENCE IN THE LIFE SCIENCES.  3. 2023
• COMMON STRUCTURAL PATTERN FOR FLECAINIDE BINDING IN ATRIAL-SELECTIVE KV1.5 AND NAV1.5 CHANNELS: A COMPUTATIONAL APPROACH.  PHARMACEUTICS.  14(7). 2022
• CRYSTAL STRUCTURE, HIRSHFELD SURFACE ANALYSIS, AND MOLECULAR DYNAMICS SIMULATIONS OF TWO ISOSTRUCTURAL N-PROPARGYL-4-(2-OXOPYRROLIDIN-1-YL)-1,2,3,4-TETRAHYDROQUINOLINES.  JOURNAL OF MOLECULAR STRUCTURE.  1254. 2022
• IDENTIFICATION OF HMGCR, PPGARG AND PROHIBITIN AS POTENTIAL DRUGGABLE TARGETS OF DIHYDROTESTOSTERONE FOR TREATMENT AGAINST TRAUMATIC BRAIN INJURY USING SYSTEM PHARMACOLOGY.  INTERNATIONAL IMMUNOPHARMACOLOGY.  108. 2022
• NETWORK PHARMACOLOGY REVEALS MULTITARGET MECHANISM OF ACTION OF DRUGS TO BE REPURPOSED FOR COVID-19.  FRONTIERS IN PHARMACOLOGY.  13. 2022
• SELECTIVE TASK-1 INHIBITOR WITH A DEFINED STRUCTURE-ACTIVITY RELATIONSHIP REDUCES CANCER CELL PROLIFERATION AND VIABILITY.  JOURNAL OF MEDICINAL CHEMISTRY.  65(22):15014-15027. 2022
• STRUCTURAL INSIGHTS INTO THE SUBSTRATE TRANSPORT MECHANISMS IN GTR TRANSPORTERS THROUGH ENSEMBLE DOCKING.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES.  23(3). 2022
• TDP-43 MODULATION BY TAU-TUBULIN KINASE 1 INHIBITORS: A NEW AVENUE FOR FUTURE AMYOTROPHIC LATERAL SCLEROSIS THERAPY.  JOURNAL OF MEDICINAL CHEMISTRY.  65(2):1585-1607. 2022
• TIBOLONE PRE-TREATMENT AMELIORATES THE DYSREGULATION OF PROTEIN TRANSLATION AND TRANSPORT GENERATED BY PALMITIC ACID-INDUCED LIPOTOXICITY IN HUMAN ASTROCYTES: A LABEL-FREE MS-BASED PROTEOMICS AND NETWORK ANALYSIS.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES.  23(12). 2022
• 5-(INDOL-2-YL)PYRAZOLO[3,4-B]PYRIDINES AS A NEW FAMILY OF TASK-3 CHANNEL BLOCKERS: A PHARMACOPHORE-BASED REGIOSELECTIVE SYNTHESIS.  MOLECULES.  26(13). 2021
• ANTIMICROBIAL PROPERTIES OF NOVEL IONIC LIQUIDS DERIVED FROM IMIDAZOLIUM CATION WITH PHENOLIC FUNCTIONAL GROUPS.  BIOORGANIC CHEMISTRY.  115. 2021
• APPLICATION OF ENSEMBLE PHARMACOPHORE-BASED VIRTUAL SCREENING TO THE DISCOVERY OF NOVEL ANTIMITOTIC TUBULIN INHIBITORS.  COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL.  19:4360-4372. 2021
• FROM KINASE INHIBITORS TO MULTITARGET LIGANDS AS POWERFUL DRUG LEADS FOR ALZHEIMER'S DISEASE USING PROTEIN-TEMPLATED SYNTHESIS.  ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.  60(35):19344-19354. 2021
• HOST-DIRECTED FDA-APPROVED DRUGS WITH ANTIVIRAL ACTIVITY AGAINST SARS-COV-2 IDENTIFIED BY HIERARCHICAL IN SILICO/IN VITRO SCREENING METHODS.  PHARMACEUTICALS.  14(4). 2021
• IDENTIFICATION OF A CRITICAL BINDING SITE FOR LOCAL ANAESTHETICS IN THE SIDE POCKETS OF K(V)1 CHANNELS.  BRITISH JOURNAL OF PHARMACOLOGY.  178(15):3034-3048. 2021
• PSC-DB: A STRUCTURED AND SEARCHABLE 3D-DATABASE FOR PLANT SECONDARY COMPOUNDS.  MOLECULES.  26(4). 2021
• SCREENING FOR INTERACTING PROTEINS WITH PEPTIDE BIOMARKER OF BLOOD-BRAIN BARRIER ALTERATION UNDER INFLAMMATORY CONDITIONS.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES.  22(9). 2021
• TARGETING NUCLEAR PROTEIN TDP-43 BY CELL DIVISION CYCLE KINASE 7 INHIBITORS: A NEW THERAPEUTIC APPROACH FOR AMYOTROPHIC LATERAL.  EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY.  210. 2021
• ANALYSIS OF THEZONULA OCCLUDENSTOXIN FOUND IN THE GENOME OF THE CHILEAN NON-TOXIGENICVIBRIO PARAHAEMOLYTICUSSTRAIN PMC53.7.  FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY.  10. 2020
• COVID-19: DRUG TARGETS AND POTENTIAL TREATMENTS.  JOURNAL OF MEDICINAL CHEMISTRY.  63(21):12359-12386. 2020
• ELUCIDATING THE STRUCTURAL BASIS OF THE INTRACELLULAR PH SENSING MECHANISM OF TASK-2 K2P CHANNELS.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES.  21(2). 2020
• IDENTIFICATION OF MYCOBACTERIUM TUBERCULOSIS CTPF AS A TARGET FOR DESIGNING NEW ANTITUBERCULOUS COMPOUNDS.  BIOORGANIC & MEDICINAL CHEMISTRY.  28(3). 2020
• STRUCTURAL AND FUNCTIONAL COMPUTATIONAL ANALYSIS OF NICOTINE ANALOGS AS POTENTIAL NEUROPROTECTIVE COMPOUNDS IN PARKINSON DISEASE.  COMPUTATIONAL BIOLOGY AND CHEMISTRY.  86. 2020
• DISCOVERY OF NOVEL TASK-3 CHANNEL BLOCKERS USING A PHARMACOPHORE-BASED VIRTUAL SCREENING.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES.  20(16). 2019
• STRUCTURE/ACTIVITY ANALYSIS OF TASK-3 CHANNEL ANTAGONISTS BASED ON A 5,6,7,8 TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES.  20(9). 2019
• TASK CHANNELS PHARMACOLOGY: NEW CHALLENGES IN DRUG DESIGN.  JOURNAL OF MEDICINAL CHEMISTRY.  62(22):10044-10058. 2019
• THE INTERPLAY OF THE METALLOSENSOR CUER WITH TWO DISTINCT COPZ CHAPERONES DEFINES COPPER HOMEOSTASIS IN PSEUDOMONAS AERUGINOSA.  JOURNAL OF BIOLOGICAL CHEMISTRY.  294(13):4934-4945. 2019
• THE MOLECULAR BASIS FOR AN ALLOSTERIC INHIBITION OF K+-FLUX GATING IN K-2P CHANNELS.  ELIFE.  8. 2019
• AN IMPORTANT ROLE FOR PERIPLASMIC STORAGE IN PSEUDOMONAS AERUGINOSA COPPER HOMEOSTASIS REVEALED BY A COMBINED EXPERIMENTAL AND COMPUTATIONAL MODELING STUDY.  MOLECULAR MICROBIOLOGY.  110(3):357-369. 2018
• IS IT RELIABLE TO TAKE THE MOLECULAR DOCKING TOP SCORING POSITION AS THE BEST SOLUTION WITHOUT CONSIDERING AVAILABLE STRUCTURAL DATA?.  MOLECULES.  23(5). 2018
• NOVEL ALKYLIMIDAZOLIUM IONIC LIQUIDS AS AN ANTIBACTERIAL ALTERNATIVE TO PATHOGENS OF THE SKIN AND SOFT TISSUE INFECTIONS.  MOLECULES.  23(9). 2018
• EXPLORING AND UNDERSTANDING THE FUNCTIONAL ROLE, AND BIOCHEMICAL AND STRUCTURAL CHARACTERISTICS OF AN ACIDIC PHOSPHOLIPASE A(2), APITX-I, PURIFIED FROM AGKISTRODON PISCIVORUS LEUCOSTOMA SNAKE VENOM.  TOXICON.  127:22-36. 2017
• ORIGIN AND EVOLUTION OF TRANSPORTER SUBSTRATE SPECIFICITY WITHIN THE NPF FAMILY.  ELIFE.  6. 2017
• SIDE FENESTRATIONS PROVIDE AN "ANCHOR" FOR A STABLE BINDING OF A1899 TO THE PORE OF TASK-1 POTASSIUM CHANNELS.  MOLECULAR PHARMACEUTICS.  14(7):2197-2208. 2017
• COATX-II, A NEW DIMERIC LYS49 PHOSPHOLIPASE A(2) FROM CROTALUS OREGANUS ABYSSUS SNAKE VENOM WITH BACTERICIDAL POTENTIAL: INSIGHTS INTO ITS STRUCTURE AND BIOLOGICAL ROLES.  TOXICON.  120:147-158. 2016
• COMPUTATIONAL METHODS APPLIED TO RATIONAL DRUG DESIGN.  OPEN MEDICINAL CHEMISTRY JOURNAL.  10:7-20. 2016
• FUNCTIONAL MUTAGENESIS SCREENS REVEAL THE 'CAP STRUCTURE' FORMATION IN DISULFIDE-BRIDGE FREE TASK CHANNELS.  SCIENTIFIC REPORTS.  6. 2016
• IS IT RELIABLE TO USE COMMON MOLECULAR DOCKING METHODS FOR COMPARING THE BINDING AFFINITIES OF ENANTIOMER PAIRS FOR THEIR PROTEIN TARGET?.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES.  17(4). 2016
• NOVEL N-ALLYL/PROPARGYL TETRAHYDROQUINOLINES: SYNTHESIS VIA THREE-COMPONENT CATIONIC IMINO DIELS-ALDER REACTION, BINDING PREDICTION, AND EVALUATION AS CHOLINESTERASE INHIBITORS.  CHEMICAL BIOLOGY & DRUG DESIGN.  88(4):498-510. 2016
• KV1.5 BLOCKERS PREFERENTIALLY INHIBIT TASK-1 CHANNELS: TASK-1 AS A TARGET AGAINST ATRIAL FIBRILLATION AND OBSTRUCTIVE SLEEP APNEA?.  PFLUGERS ARCHIV-EUROPEAN JOURNAL OF PHYSIOLOGY.  467(5):1081-1090. 2015
• COMPUTATIONAL INSIGHTS OF THE INTERACTION AMONG SEA ANEMONES NEUROTOXINS AND KV1.3 CHANNEL.  BIOINFORMATICS AND BIOLOGY INSIGHTS.  8:73-81. 2014
• THEORETICAL AND EXPERIMENTAL EXPLORATION OF ORGANIC SYNTHESIS ROUTES TO OBTAIN NATURAL RUBBER ANALOGUES.  JOURNAL OF MATERIALS SCIENCE AND ENGINEERING A.  4(9):290-296. 2014