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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Bibliographic Details
Main Authors: Serena Vittorio, Rosaria Gitto, Ilenia Adornato, Emilio Russo, Laura De Luca
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/26/4/1103