Deep learning driven de novo drug design based on gastric proton pump structures

Existing drugs often suffer in their effectiveness due to detrimental side effects, low binding affinity or pharmacokinetic problems. This may be overcome by the development of distinct compounds. Here, we exploit the rich structural basis of drug-bound gastric proton pump to develop compounds with...

Descripción completa

Detalles Bibliográficos
Autores principales: Abe, Kazuhiro, Ozako, Mami, Inukai, Miki, Matsuyuki, Yoe, Kitayama, Shinnosuke, Kanai, Chisato, Nagai, Chiaki, Gopalasingam, Chai C., Gerle, Christoph, Shigematsu, Hideki, Umekubo, Nariyoshi, Yokoshima, Satoshi, Yoshimori, Atsushi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10509173/
https://www.ncbi.nlm.nih.gov/pubmed/37726448
http://dx.doi.org/10.1038/s42003-023-05334-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10509173/
https://www.ncbi.nlm.nih.gov/pubmed/37726448
http://dx.doi.org/10.1038/s42003-023-05334-8

Ejemplares similares