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

Correa Lara MaximilianoGarcía Chavez JaimeVega Lopez ArmandoIsrael Lara VegaHernandez 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
human health
binding protein
climate change
molecular dynamics simulations