Pharmacoinformatics & Drug Design
We are a multidisciplinary group focused on the study of biomolecular systems by using theoretical and experimental approaches. We aim to use computational polypharmacology with wet lab analyses to strengthen the drug design and development processes. Our work involves collaboration with medicinal chemists, biochemists, and biologists, and we are part of the Pharmacology Department - Faculty of Biological Sciences at University of Concepción.
Artificial Intelligence in the Life Sciences. 3 (2023) 100077. DOI: 10.1016/j.ailsci.2023.100077
Chemoinformatics is an independent inter-discipline with a broad impact in drug design and discovery, medicinal chemistry, biochemistry, analytical and organic chemistry, natural products, and several other areas in chemistry. Through collaborations, scientific exchanges, and participation in international research networks, Latin American scientists have contributed to the development of this subject. The aim of this perspective is to discuss the status and progress of the chemoinformatic discipline in Latin America. We team up to provide an author ́s perspective on the topics that have been investigated and published over the past twelve years, collaborations between Latin America researchers and others worldwide, contributions to open-access chemoinformatic tools such as web servers, and educational-related resources and events, such as scientific conferences. We conclude that linking and fostering collaboration within each nation as well as among other Latin American nations and globally is made possible by open science and the democratization of science. We also outline strategic actions that can boost the development and practice of chemoinformatics in the region and enhance the interaction between Latin American countries and the rest of the world.
Grant | Funded by | Role | Date |
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Open Chemoinformatics. | Chile - Universidad de Concepción No. 2023014 | Principal Investigator | 2023 – 2024 |
Uso de un Escape Room como recurso docente en las asignaturas de Faramcología. | Chile - Universidad de Concepción No. 2023015 | Co-investigator | 2023 – 2024 |
Ori-tanpakushitsu: creación de modelos tridimensionales para la comprensión de las fuerzas intermoleculares involucradas en la acción farmacológica. | Chile - Universidad de Concepción No. 2023023 | Co-investigator | 2023 – 2024 |
Ligand and structure-based polypharmacology of K+ channels from the nociceptive primary sensory neurons: an alternative in pain treatment. | Chile - Fondecyt Regular No. 1230446 | Co-investigator | 2023 – 2027 |
Development of an infectious process-activated protide with therapeutic potential for control of fish farming diseases. | Chile - Fondecyt Regular No. 1231088 | Co-investigator | 2023 – 2027 |
Interdisciplinary generation of highly specific peptidic blockers of TASK-3 channel with antitumoral effect and targeting moiety for nanotherapeutics. | Chile - Fondecyt Regular No. 1230996 | Co-investigator | 2023 – 2027 |
Multidisplinary Center for Biotechnology and Molecular Biology for Climate Change Adaptation in Forest Resources (CeBioCliF). | Chile - ANID No. ATE220043 | Principal Investigator | 2022 – 2025 |
Towards systems pharmacology to design multi-target directed ligands as therapeutic alternatives for Alzheimer’s disease. | Chile - Fondecyt Regular No. 1220656 | Principal Investigator | 2022 – 2025 |
Let's talk pharmacology!!! | Chile - Universidad de Concepción No. UCO1966 | Principal Investigator | 2022 |
Identificación de moduladores del canal iónico TMC1 como alternativa terapéutica para el tratamiento de la sordera. | Chile - ANID No. FOVI210027 | Principal Investigator | 2022 - 2023 |
Development of novel therapeutic alternatives for alcohol-use disorders: a multidisciplinary approach. | Chile - ANID No. ACT210012 | Deputy Director | 2022 - 2025 |
Coupling artificial intelligence and neurosciences to potentiate pharmacological actions of tibolone over neuroglobin signaling in traumatic brain injury. | Ireland - Science Foundation Ireland | Associate Investigator | 2021 - 2024 |
Reposicionamiento de medicamentos para tratamiento de la pandemia por coronavirus (COVID-19). | Chile - ANID No. COVID0199 | Principal Investigator | 2021 - 2022 |
Actualización de los servicios de ANSEP (Astrocyte-neuron simulation environment platform) bajo el estudio integrativo de enfermedades neurodegenerativas. | Colombia - Pontificia Universidad Javeriana | Associate Investigator | 2021 - 2022 |
Target- and ligand-based drugs to control SARS-CoV-2 pandemic (CoV2Drugs). | Spain - CSIC-COV19-015 | Associate Investigator | 2020 - 2021 |
Multi-Target Drug Design Against Neurodegenerative Diseases. | Chile - Conicyt No. REDES190074 | Principal Investigator | 2020 - 2021 |
INSECTR – International Network to Study Secondary Metabolite Transport In Plants. | Chile - Conicyt No. REDES1900254 | Associate Investigator | 2020 - 2021 |
Identificación de reacciones controladoras de lipotoxicidad inducida por ácido palmítico en un modelo computacional multiómico astrocitario. | Colombia - Colciencias No. 67270 | Associate Investigator | 2020 - 2022 |
Scholarship Programme for Young Professors and Researchers from Latin American Universities. | Spain - Coimbra group | Principal Investigator | 2019 |
Structural insights into the substrate specificity and transport mechanisms in the Nitrate/Peptide Transporter (NPF) Family. | Chile - Fondecyt Iniciación No. 11180604 | Principal Investigator | 2018 – 2021 |
Análisis metabolómico de los efectos neuroprotectores de la tibolona en un modelo astrocitico humano de lipotoxicidad con ácido palmítico. | Colombia - Colciencias | International Advisor | 2017 - 2020 |