Zobrazeno 1 - 10
of 40
pro vyhledávání: '"Norberto Sánchez-Cruz"'
Autor:
Diana L. Prado-Romero, Fernanda I. Saldívar-González, Iván López-Mata, Pedro A. Laurel-García, Adrián Durán-Vargas, Enrique García-Hernández, Norberto Sánchez-Cruz, José L. Medina-Franco
Publikováno v:
Biomolecules, Vol 14, Iss 7, p 775 (2024)
Designing and developing inhibitors against the epigenetic target DNA methyltransferase (DNMT) is an attractive strategy in epigenetic drug discovery. DNMT1 is one of the epigenetic enzymes with significant clinical relevance. Structure-based de novo
Externí odkaz:
https://doaj.org/article/bc2952031d3843e5ac94fd48ed862e5a
Publikováno v:
Artificial Intelligence in the Life Sciences, Vol 4, Iss , Pp 100087- (2023)
The accuracy of machine learning models for protein-ligand binding affinity prediction depends on the quality of the experimental data they are trained on. Most of these models are trained and tested on different subsets of the PDBbind database, whic
Externí odkaz:
https://doaj.org/article/b2b50eea9d7a47edb99c8274fcadb9f7
Autor:
Norberto Sánchez-Cruz
Publikováno v:
Artificial Intelligence in the Life Sciences, Vol 3, Iss , Pp 100062- (2023)
One of the main computational tools for structure-based drug discovery is molecular docking. Due to the natural representation of molecules as graphs (a set of nodes/atoms connected through edges/bonds), Deep Graph Learning has been successfully appl
Externí odkaz:
https://doaj.org/article/820c760d8e9d4227a7e0f08d090fee62
Autor:
Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-Gonzalez, Norberto Sánchez-Cruz, Marilia Valli
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-12 (2022)
Abstract We report the main conclusions of the first Chemoinformatics and Artificial Intelligence Colloquium, Mexico City, June 15–17, 2022. Fifteen lectures were presented during a virtual public event with speakers from industry, academia, and no
Externí odkaz:
https://doaj.org/article/c7438a3c488344729743a6904d1bb89f
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-5 (2022)
Externí odkaz:
https://doaj.org/article/797436c31e974937b35484b611425280
Publikováno v:
Frontiers in Pharmacology, Vol 14 (2023)
Externí odkaz:
https://doaj.org/article/850d0adfb1174f5bb7c9b7e75b6d6b8e
Publikováno v:
F1000Research, Vol 8 (2020)
Background: Natural product databases are important in drug discovery and other research areas. An analysis of its structural content, as well as functional group occurrence, provides a useful overview, as well as a means of comparison with related d
Externí odkaz:
https://doaj.org/article/afabf968643f4557a373a0eac38292f3
Publikováno v:
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-13 (2018)
Abstract Background Simplified representation of compound databases has several applications in cheminformatics. Herein, we introduce an alternative and general method to build single fingerprint representations of compound databases. The approach is
Externí odkaz:
https://doaj.org/article/e26a1fc065ee4bb3a1db37f53dcbff7c
Publikováno v:
F1000Research, Vol 8 (2019)
Background: Natural product databases are important in drug discovery and other research areas. Their structural contents and functional group analysis are relevant to increase their knowledge in terms of chemical diversity and chemical space coverag
Externí odkaz:
https://doaj.org/article/0dd8cf7f25bc4f2eac9a274536bb799b
Autor:
K. Eurídice Juárez-Mercado, Fernando D. Prieto-Martínez, Norberto Sánchez-Cruz, Andrea Peña-Castillo, Diego Prada-Gracia, José L. Medina-Franco
Publikováno v:
Pharmaceuticals, Vol 14, Iss 1, p 17 (2020)
Inhibitors of DNA methyltransferases (DNMTs) are attractive compounds for epigenetic drug discovery. They are also chemical tools to understand the biochemistry of epigenetic processes. Herein, we report five distinct inhibitors of DNMT1 characterize
Externí odkaz:
https://doaj.org/article/ff9ba157e1bc430ab833685f1da9661b