Mechanisms Contributing to Acquired Activated Protein C Resistance in Patients Treated with Thalidomide: A Molecular Dynamics Study.

Correa Lara MaximilianoGarcía Chavez JaimeVega Lopez ArmandoLara Vega IsrraelHernandez Gonzalez VictoriaMartinez Hernandez Erika

Published in: Cardiovascular & hematological disorders drug targets (2023)

We demonstrate the in silico inhibitory potential of thalidomide on APC, through two possible inhibition mechanisms, a pathophysiologically relevant finding to understand the factors that can affect the stability and functions of APC in vivo.

Keyphrases

molecular dynamics
density functional theory
molecular docking
risk assessment
small molecule