Resultats - Quimioinformàtica i Nutrició
Quimioinformàtica i Nutrició
| Tesis Doctorals Dirigides / Theses |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Títol: Application of machine learning methods on SARS-Cov-2: Mortality prediction by using health and nutritional factors and prediction of recurrent mutations |
| Autor: Saldivar Espinoza, Bryan Percy |
| Director: Cereto Massagué, Adrián José; Pujadas Anguiano, Gerard; Garcia Vallve, Santiago |
| Universitat: N/D |
| Any: 2024 |
| País: N/D |
| Títol: Studying the limits of protein-ligand docking to predict new non-covalent inhibitors for the SARSCoV-2 main protease |
| Autor: Macip Sancho, Guillem |
| Director: Pujadas Anguiano, Gerard; Garcia Vallve, Santiago |
| Universitat: N/D |
| Any: 2023 |
| País: N/D |
| Publicacions en Revista / Papers |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Títol: Ligand- and Structure-Based Virtual Screening Identifies New Inhibitors of the Interaction of the SARS-CoV-2 Spike Protein with the ACE2 Host Receptor |
| Autors: Delgado-Maldonado, Timoteo; Gonzalez-Gonzalez, Alonzo; Moreno-Rodriguez, Adriana; Bocanegra-Garcia, Virgilio; Martinez-Vazquez, Ana Veronica; de Luna-Santillana, Erick de Jesus; Pujadas, Gerard; Rojas-Verde, Guadalupe; Lara-Ramirez, Edgar E; Rivera, Gildardo |
| Any: 2024 Clau: Article |
| Revista: Pharmaceutics |
| País: N/D |
| Títol: Are protein-ligand docking programs good enough to predict experimental poses of noncovalent ligands bound to the SARS-CoV-2 main protease? |
| Autors: Llop-Peiro, Ariadna; Macip, Guillem; Garcia-Vallve, Santiago; Pujadas, Gerard |
| Any: 2024 Clau: Review |
| Revista: Drug Discovery Today |
| País: N/D |
| Títol: Challenges in distinguishing functional proteins from polyproteins in databases: implications for drug discovery |
| Autors: Llop-Peiro, Ariadna; Pujadas, Gerard; Garcia-Vallve, Santiago |
| Any: 2024 Clau: Article |
| Revista: Briefings In Bioinformatics |
| País: N/D |
| Títol: Identification of N-Acyl Hydrazones as New Non-Zinc-Binding MMP-13 Inhibitors by Structure-Based Virtual Screening Studies and Chemical Optimization |
| Autors: Cuffaro, Doretta; Gimeno, Aleix; Bernardoni, Bianca Laura; Di Leo, Riccardo; Pujadas, Gerard; Garcia-Vallve, Santiago; Nencetti, Susanna; Rossello, Armando; Nuti, Elisa |
| Any: 2023 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: Recent advances in the development of methyltransferase (MTase) inhibitors against (re)emerging arboviruses diseases dengue and Zika |
| Autors: Delgado-Maldonado T; Moreno-Herrera A; Pujadas G; Vázquez-Jiménez LK; González-González A; Rivera G |
| Any: 2023 Clau: Review |
| Revista: European Journal Of Medicinal Chemistry |
| País: N/D |
| Títol: A mixture of four dietary fibres ameliorates adiposity and improves metabolic profile and intestinal health in cafeteria-fed obese rats: an integrative multi-omics approach |
| Autors: Estanyol-Torres, Nuria; Domenech-Coca, Cristina; Gonzalez-Dominguez, Raul; Minarro, Antonio; Reverter, Ferran; Antonio Moreno-Munoz, Jose; Jimenez, Jesus; Martin-Palomas, Manel; Castellano-Escuder, Pol; Mostafa, Hamza; Garcia-Vallve, Santi; Abasolo, Nerea; Rodriguez, Miguel A; Torrell, Helena; del Bas, Josep M; Sanchez-Pla, Alex; Caimari, Antoni; Mas-Capdevila, Anna; Andres-Lacueva, Cristina; Crescenti, Anna |
| Any: 2023 Clau: Article |
| Revista: Journal Of Nutritional Biochemistry |
| País: N/D |
| Títol: Drug Potency Prediction of SARS-CoV-2 Main Protease Inhibitors Based on a Graph Generative Model |
| Autors: Fadlallah, Sarah; Julia, Carme; Garcia-Vallve, Santiago; Pujadas, Gerard; Serratosa, Francesc |
| Any: 2023 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: The Mutational Landscape of SARS-CoV-2 |
| Autors: Saldivar-Espinoza, Bryan; Garcia-Segura, Pol; Novau-Ferre, Nil; Macip, Guillem; Martinez, Ruben; Puigbo, Pere; Cereto-Massague, Adria; Pujadas, Gerard; Garcia-Vallve, Santiago |
| Any: 2023 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: Functional and genomic comparative study of the bitter taste receptor family TAS2R: Insight into the role of human TAS2R5 |
| Autors: Grau-Bove, Carme; Grau-Bove, Xavier; Terra, Ximena; Garcia-Vallve, Santi; Rodriguez-Gallego, Esther; Beltran-Debon, Raul; Teresa Blay, M; Ardevol, Anna; Pinent, Montserrat |
| Any: 2022 Clau: Review |
| Revista: Faseb Journal |
| País: N/D |
| Títol: Haste makes waste: A critical review of docking-based virtual screening in drug repurposing for SARS-CoV-2 main protease (M-pro) inhibition |
| Autors: Macip, Guillem; Garcia-Segura, Pol; Mestres-Truyol, Julia; Saldivar-Espinoza, Bryan; Ojeda-Montes, Maria Jose; Gimeno, Aleix; Cereto-Massague, Adria; Garcia-Vallve, Santiago; Pujadas, Gerard |
| Any: 2022 Clau: Review |
| Revista: Medicinal Research Reviews |
| País: N/D |
| Títol: A review of the current landscape of SARS-CoV-2 main protease inhibitors: Have we hit the bullseye yet? |
| Autors: Macip, Guillem; Garcia-Segura, Pol; Mestres-Truyol, Julia; Saldivar-Espinoza, Bryan; Pujadas, Gerard; Garcia-Vallve, Santiago |
| Any: 2022 Clau: Review |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: Prediction of Recurrent Mutations in SARS-CoV-2 Using Artificial Neural Networks |
| Autors: Saldivar-Espinoza, Bryan; Macip, Guillem; Garcia-Segura, Pol; Mestres-Truyol, Julia; Puigbo, Pere; Cereto-Massague, Adria; Pujadas, Gerard; Garcia-Vallve, Santiago |
| Any: 2022 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening |
| Autors: Gimeno, Aleix; Cuffaro, Doretta; Nuti, Elisa; Ojeda-Montes, Maria Jose; Beltran-Debon, Raul; Mulero, Miquel; Rossello, Armando; Pujadas, Gerard; Garcia-Vallve, Santiago |
| Any: 2021 Clau: Article |
| Revista: Molecules |
| País: N/D |
| Títol: An Unsupervised Algorithm for Host Identification in Flaviviruses |
| Autors: Phuoc Truong Nguyen; Garcia-Valle, Santiago; Puigbo, Pere |
| Any: 2021 Clau: Article |
| Revista: Life |
| País: N/D |
| Títol: Anti¿inflammatory and immunomodulatory effects of the grifola frondosa natural compound o¿orsellinaldehyde on lps¿challenged murine primary glial cells. Roles of nf¿¿¿ and mapk |
| Autors: Tomas-Hernandez, Sarah; Blanco, Jordi; Garcia-Vallve, Santiago; Pujadas, Gerard; Ojeda-Montes, Maria Jose; Gimeno, Aleix; Arola, Lluis; Minghetti, Luisa; Beltran-Debon, Raul; Mulero, Miguel |
| Any: 2021 Clau: Article |
| Revista: Pharmaceutics |
| País: N/D |
| Llibres / Books |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Capítols de Llibre / Book chapters |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Títol: Mining for Bioactive Molecules in Open Databases |
| Autors: Macip G; Mestres-Truyol J; Garcia-Segura P; Saldivar-Espinoza B; Garcia-Vallvé S; Pujadas G |
| Any: 2023 Clau: Book Chapters |
| Altres Documents / Other documents |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Patents Sol.licitades / Patents |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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| Congressos / Conferences |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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