In Silico Strategy for Targeting the mTOR Kinase at Rapamycin Binding Site by Small Molecules

Computer aided drug-design methods proved to be powerful tools for the identification of new therapeutic agents. We employed a structure-based workflow to identify new inhibitors targeting mTOR kinase at rapamycin binding site. By combining molecular dynamics (MD) simulation and pharmacophore modell...

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Detalles Bibliográficos
Autores principales: Vittorio, Serena, Gitto, Rosaria, Adornato, Ilenia, Russo, Emilio, De Luca, Laura
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7922000/
https://www.ncbi.nlm.nih.gov/pubmed/33669763
http://dx.doi.org/10.3390/molecules26041103

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7922000/
https://www.ncbi.nlm.nih.gov/pubmed/33669763
http://dx.doi.org/10.3390/molecules26041103

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