Identification of New KRAS G12D Inhibitors through Computer-Aided Drug Discovery Methods

Identification of New KRAS G12D Inhibitors through Computer-Aided Drug Discovery Methods

Owing to several mutations, the oncogene Kirsten rat sarcoma 2 viral oncogene homolog (KRAS) is activated in the majority of cancers, and targeting it has been pharmacologically challenging. In this study, using an in silico approach comprised of pharmacophore modeling, molecular docking, and molecu...

Full description

Bibliographic Details
Main Authors: Apoorva M. Kulkarni, Vikas Kumar, Shraddha Parate, Gihwan Lee, Sanghwa Yoon, Keun Woo Lee
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:International Journal of Molecular Sciences
Subjects:
KRAS
in silico
pharmacophore
virtual screening
molecular docking
molecular dynamics simulations
Online Access:https://www.mdpi.com/1422-0067/23/3/1309

Internet

https://www.mdpi.com/1422-0067/23/3/1309

Similar Items