Resultats - Quimioinformàtica i Nutrició
Quimioinformàtica i Nutrició
| Tesis Doctorals Dirigides / Theses |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| 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: Coronas Salcedo, Alberto; Cereto Massagué, Adrián José; Pujadas Anguiano, Gerard; Garcia Vallve, Santiago |
| Universitat: N/D |
| Any: 2024 |
| País: N/D |
| 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: Coronas Salcedo, Alberto; 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 |
| 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 |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| 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 T; González-González A; Moreno-Rodríguez A; Bocanegra-García V; Martinez-Vazquez AV; de Luna-Santillana EJ; Pujadas G; Rojas-Verde G; Lara-Ramírez EE; Rivera G |
| 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, A; Macip, G; Garcia-Vallve, S; Pujadas, G |
| 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: Challenges in distinguishing functional proteins from polyproteins in databases: implications for drug discovery. |
| Autors: Llop-Peiró A, Pujadas G, Garcia-Vallvé S. |
| Any: 2024 Clau: Article |
| Revista: Briefings In Bioinformatics |
| 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-Peiró A; Macip G; Garcia-Vallvé S; Pujadas G |
| Any: 2024 Clau: Review |
| Revista: Drug Discovery Today |
| País: N/D |
| Títol: Towards understanding post-COVID-19 condition: A systematic meta-analysis of transcriptomic alterations with sex-specific insights |
| Autors: Rusu EC; Monfort-Lanzas P; Bertran L; Barrientos-Riosalido A; Solé E; Mahmoudian R; Aguilar C; Briansó S; Mohamed F; Garcia S; Camaron J; Auguet T |
| Any: 2024 Clau: Review |
| Revista: Computers In Biology And Medicine |
| 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, D; Gimeno, A; Bernardoni, BL; Di Leo, R; Pujadas, G; Garcia-Vallve, S; Nencetti, S; Rossello, A; Nuti, E |
| 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: Drug Potency Prediction of SARS-CoV-2 Main Protease Inhibitors Based on a Graph Generative Model |
| Autors: Fadlallah, Sarah; Julià, Carme; García-Vallvé, 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, B; Garcia-Segura, P; Novau-Ferré, N; Macip, G; Martínez, R; Puigbò, P; Cereto-Massagué, A; Pujadas, G; Garcia-Vallve, S |
| 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-Ferré, Nil; Macip, Guillem; Martínez, Ruben; Puigbò, Pere; Cereto-Massagué, Adrià; 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: A review of the current landscape of SARS-CoV-2 main protease inhibitors: Have we hit the bullseye yet? |
| Autors: Macip G; Garcia-segura P; Mestres-truyol J; Saldivar-espinoza B; Pujadas G; Garcia-Vallvé S |
| Any: 2022 Clau: Review |
| Revista: International Journal Of Molecular Sciences |
| 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: Prediction of Recurrent Mutations in SARS-CoV-2 Using Artificial Neural Networks |
| Autors: Saldivar-Espinoza B, Macip G, Garcia-Segura P, Mestres-Truyol J, Puigbò P, Cereto-Massagué A, Pujadas G, Garcia-Vallve S. |
| Any: 2022 Clau: Article |
| 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: Could nucleocapsid be a next-generation COVID-19 vaccine candidate? |
| Autors: Saldivar-Espinoza, Bryan; Macip, Guillem; Pujadas, Gerard; Garcia-Vallve, Santiago |
| Any: 2022 Clau: Article |
| Revista: International Journal Of Infectious Diseases |
| 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: 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, Júlia; Saldivar?Espinoza, Bryan; Ojeda?Montes, María José; Gimeno, Aleix; Cereto?Massagué, Adrià; Garcia?Vallvé, Santiago; Pujadas, Gerard |
| Any: 2021 Clau: Article |
| Revista: Medicinal Research Reviews |
| 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: Adaptation of bacteria to glyphosate: a microevolutionary perspective of the enzyme 5-enolpyruvylshikimate-3-phosphate synthase |
| Autors: Rainio, Miia J.; Ruuskanen, Suvi; Helander, Marjo; Saikkonen, Kari; Saloniemi, Irma; Puigbo, Pere; |
| Any: 2021 Clau: Article |
| Revista: Environmental Microbiology Reports |
| 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 S; Blanco J; Garcia¿vallvé S; Pujadas G; Ojeda¿montes MJ; Gimeno A; Arola L; Minghetti L; Beltrán¿debón R; Mulero M |
| Any: 2021 Clau: Article |
| Revista: Pharmaceutics |
| País: N/D |
| Títol: Understanding the variability of the S1' pocket to improve matrix metalloproteinase inhibitor selectivity profiles |
| Autors: Gimeno A, Beltrán-Debón R, Mulero M, Pujadas G, Garcia-Vallvé S |
| Any: 2020 Clau: Review |
| Revista: Drug Discovery Today |
| País: N/D |
| Títol: Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition |
| Autors: Gimeno A; Mestres-Truyol J; Ojeda-Montes MJ; Macip G; Saldivar-Espinoza B; Cereto-Massagué A; Pujadas G; Garcia-Vallvé S |
| Any: 2020 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Llibres / Books |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| Capítols de Llibre / Book chapters |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| 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 |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| Patents Sol.licitades / Patents |
| 2020 | 2021 | 2022 | 2023 | 2024 |
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| Congressos / Conferences |
| 2020 | 2021 | 2022 | 2023 | 2024 |
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