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Resultats - Quimioinformàtica i Nutrició


Quimioinformàtica i Nutrició

Tesis Doctorals Dirigides / Theses 
2017 2018 2019 2020 2021
Títol: Identification by virtual screening of protein tyrosine phosphatase 1b and matrix metalloproteinase 13 inhibitors for the treatment of obesity and obesity-associated disorders
Autor: Aleix Gimeno Vives
Director: Garcia Vallve, Santiago (Autor O Coautor) ; Santiago Garcia Vallvé; Gerard Pujadas Anguiano
Universitat: N/D
Any: 2019
País: N/D
Títol: Computational approaches for the characterization of the dipeptidyl peptidase iv inhibition: applications to drug discovery, drug design and binding site similarity
Autor: María José Ojeda Montes
Director: Garcia Vallve, Santiago (Autor O Coautor); Gerard Pujadas Anguiano (Director); Santiago Garcia Vallvé (Director); Cristina Valls Bautista
Universitat: N/D
Any: 2017
País: N/D
Títol: Development of tools for in silico drug discovery
Autor: Adrià Cereto Massagué
Director: Garcia Vallve, Santiago (Autor O Coautor) ; Santiago Garcia Vallvé; Gerard Pujadas Anguiano
Universitat: N/D
Any: 2017
País: N/D
Títol: Computational approaches for the characterization of the dipeptidyl peptidase IV inhibition: applications to drug discovery, drug design and binding site similarity
Autor: Maria Jose Ojeda Montes
Director: Valls Bautista, Cristina; Garcia Vallve, Santiago; Pujadas Anguiano, Gerard
Universitat: N/D
Any: 2017
País: N/D
Títol: Computational approaches for the characterization of the dipeptidyl peptidase IV inhibition: applications to drug discovery, drug design and binding site similarity
Autor: Maria Jose Ojeda Montes
Director: Valls Bautista, Cristina; Garcia Vallve, Santiago; Pujadas Anguiano, Gerard
Universitat: N/D
Any: 2017
País: N/D
Títol: Characterization of the biological effects of natural compounds against inflammation, metabolic syndrome and cancer
Autor: Sarah Tomas Hernandez
Director: Garcia Vallve, Santiago
Universitat: N/D
Any: 2017
País: N/D
Títol: Development of tools for in silico drug discovery 
Autor: Adria Cereto-Massague
Director: Garcia Vallve, Santiago; Pujadas Anguiano, Gerard
Universitat: N/D
Any: 2017
País: N/D
Títol: Characterization of the biological effects of natural compounds against inflammation, metabolic syndrome and cancer
Autor: Sara Tomás Hernández
Director: Garcia Vallve, Santiago (Autor O Coautor); Miquel Mulero Abellán (Director); Santiago Garcia Vallvé
Universitat: N/D
Any: 2017
País: N/D
Títol: Development of tools for in silico drug discovery 
Autor: Adria Cereto-Massague
Director: Garcia Vallve, Santiago; Pujadas Anguiano, Gerard
Universitat: N/D
Any: 2017
País: N/D
Publicacions en Revista / Papers 
2017 2018 2019 2020 2021
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, Julia; Saldivar-Espinoza, Bryan; Ojeda-Montes, Maria Jose; Gimeno, Aleix; Cereto-Massague, Adria; Garcia-Vallve, Santiago; Pujadas, Gerard;
Any: 2021 Clau: Review
Revista: Medicinal Research Reviews
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: 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
Títol: The light and dark sides of virtual screening: What is there to know?
Autors: Gimeno A; Ojeda-Montes M; Tomás-Hernández S; Cereto-Massagué A; Beltrán-Debón R; Mulero M; Pujadas G; Garcia-Vallvé S
Any: 2019 Clau: Review
Revista: International Journal Of Molecular Sciences
País: N/D
Títol: Mining large databases to find new leads with low similarity to known actives: application to find new DPP-IV inhibitors
Autors: Ojeda-Montes M, Casanova-Martí À, Gimeno A, Tomás-Hernández S, Cereto-Massagué A, Wolber G, Beltrán-Debón R, Valls C, Mulero M, Pinent M, Pujadas G, Garcia-Vallvé S
Any: 2019 Clau: Article
Revista: Future Medicinal Chemistry
País: N/D
Títol: Annapurna expedition game: applying molecular biology tools to learn genetics
Autors: Sole-Llussa, Anna; Casanoves, Marina; Salvado, Zoel; Garcia-Vallve, Santigo; Valls, Cristina; Novo, Maite
Any: 2019 Clau: Article
Revista: Journal Of Biological Education
País: N/D
Títol: Combined Ligand- and Receptor-Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors
Autors: Gimeno A, Ardid-Ruiz A, Ojeda-Montes M, Tomás-Hernández S, Cereto-Massagué A, Beltrán-Debón R, Mulero M, Valls C, Aragonès G, Suárez M, Pujadas G, Garcia-Vallvé S
Any: 2018 Clau: Article
Revista: Chemmedchem
País: N/D
Títol: Activity and selectivity cliffs for DPP-IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening
Autors: Ojeda-Montes M, Gimeno A, Tomas-Hernández S, Cereto-Massagué A, Beltrán-Debón R, Valls C, Mulero M, Pujadas G, Garcia-Vallvé S
Any: 2018 Clau: Review
Revista: Medicinal Research Reviews
País: N/D
Títol: Anti-inflammatory and Proapoptotic Properties of the Natural Compound o-Orsellinaldehyde
Autors: Tomas-Hernandez S, Garcia-Vallvé S, Pujadas G, Valls C, Ojeda-Montes M, Gimeno A, Cereto-Massagué A, Roca-Martinez J, Suárez M, Arola L, Blanco J, Mulero M, Beltran-Debón R
Any: 2018 Clau: Article
Revista: Journal Of Agricultural And Food Chemistry
País: N/D
Títol: Resveratrol Potently Counteracts Quercetin Starvation-Induced Autophagy and Sensitizes HepG2 Cancer Cells to Apoptosis
Autors: Tomas-Hernández S, Blanco J, Rojas C, Roca-Martínez J, Ojeda-Montes M, Beltrán-Debón R, Garcia-Vallvé S, Pujadas G, Arola L, Mulero M
Any: 2018 Clau: Article
Revista: Molecular Nutrition & Food Research
País: N/D
Títol: Ephedrine as a lead compound for the development of new DPP-IV inhibitors
Autors: Ojeda-Montes M; Ardid-Ruiz A; Tomás-Hernández S; Gimeno A; Cereto-Massagué A; Beltrán-Debón R; Mulero M; Garcia-Vallvé S; Pujadas G; Valls C
Any: 2017 Clau: Article
Revista: Future Medicinal Chemistry
País: N/D
Títol: Ephedrine as a lead compound for the development of new DPP-IV inhibitors
Autors: Ojeda-Montes MJ, Ardid-Ruiz A, Tomás-Hernández S, Gimeno A, Cereto-Massagué A, Beltrán-Debón R, Mulero M, Garcia-Vallvé S, Pujadas G, Valls C.
Any: 2017 Clau: Article
Revista: FUTURE MEDICINAL CHEMISTRY
País: N/D
Llibres / Books 
2017 2018 2019 2020 2021
Capítols de Llibre / Book chapters 
2017 2018 2019 2020 2021
Títol: Multiple Peroxisome Proliferator-Activated Receptor-Based Ligands
Autors: Kukhtar D., Mulero M., Beltrán-Debón R., Valls C., Pujadas G., Garcia-Vallve S.
Any: 2017 Clau: Book Chapters
Títol: Multiple Peroxisome Proliferator-Activated Receptor-Based Ligands
Autors: Kukhtar D; Mulero M; Beltrán-Debón R; Valls C; Pujadas G; Garcia-Vallve S
Any: 2017 Clau: Book Chapters
Altres Documents / Other documents 
2017 2018 2019 2020 2021
Patents Sol.licitades / Patents 
2017 2018 2019 2020 2021
Congressos / Conferences 
2017 2018 2019 2020 2021
Autor/a: Sarah Tomas-Hernandez; Santiago Garcia-Vallvé; Gerard Pujadas; María José Ojeda-Montes; Aleix Gimeno; Adrià Cereto-Massagué; Lluís Arola; Luisa Minghetti; Miquel Mulero; Raúl Beltran-Debón
Títol: Efectos neuroprotectores del compuesto natural o-orsellinaldehído en cultivos primarios de células gliales
Congrés/acte: Ix Seminario Sobre Alimentación Y Estilos De Vida Saludables. Nuevas Tecnologías, Nuevos Enfoques.
Congrés/acte: Poster
Any: 2017