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.
Frontiers in Pharmacology. 13:952192. DOI: 10.3389/fphar.2022.952192
The coronavirus disease 2019 pandemic accelerated drug/vaccine development processes, integrating scientists all over the globe to create therapeutic alternatives against this virus. In this work, we have collected information regarding proteins from SARS-CoV-2 and humans and how these proteins interact. We have also collected information from public databases on protein–drug interactions. We represent this data as networks that allow us to gain insights into protein–protein interactions between both organisms. With the collected data, we have obtained statistical metrics of the networks. This data analysis has allowed us to find relevant information on which proteins and drugs are the most relevant from the network pharmacology perspective. This method not only allows us to focus on viral proteins as the main targets for COVID-19 but also reveals that some human proteins could be also important in drug repurposing campaigns. As a result of the analysis of the SARS-CoV-2–human interactome, we have identified some old drugs, such as disulfiram, auranofin, gefitinib, suloctidil, and bromhexine as potential therapies for the treatment of COVID-19 deciphering their potential complex mechanism of action.
Grant | Funded by | Role | Date |
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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 |