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Design and Molecular Dynamics Simulation of Thieno-pyrimidine derivative JAK3 Inhibitor
Author(s)
Fukasem, Poowadon
Gleeson, M. Paul
Date Issued
January 1, 2023
Type
Conference Paper
Abstract
Protein kinase is a major class of intracellular signaling enzyme, described as important drug targets. Janus Kinase 3 (JAK3) is involved in immune signaling pathways that affect immune cell functions and have been considered as potential targets for cancer therapy. In this study, the effect of linker stereoisomer of newly designed JAK3 inhibitors was elucidated using the 10-ns molecular dynamics (MD) simulation. The obtained results revealed that (R)-stereoisomer had a better binding activity than (S)-stereoisomer.
Citation
Bmeicon 2023 15th Biomedical Engineering International Conference, 2023
Subjects