Novel Thiourea and Oxime Ether Isosteviol-Based Anticoagulants: MD Simulation and ADMET Prediction

Novel Thiourea and Oxime Ether Isosteviol-Based Anticoagulants: MD Simulation and ADMET Prediction

Activated blood coagulation factor X (FXa) plays a critical initiation step of the blood-coagulation pathway and is considered a desirable target for anticoagulant drug development. It is reversibly inhibited by nonvitamin K antagonist oral anticoagulants (NOACs) such as apixaban, betrixaban, edoxab...

Full description

Bibliographic Details
Main Authors: Marcin Gackowski, Mateusz Jędrzejewski, Sri Satya Medicharla, Rajesh Kondabala, Burhanuddin Madriwala, Katarzyna Mądra-Gackowska, Renata Studzińska
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Pharmaceuticals
Subjects:
anticoagulants
activated blood coagulation factor X (FXa) inhibitors
isosteviol
molecular dynamics (MD) simulation
thrombosis
ADMET prediction
Online Access:https://www.mdpi.com/1424-8247/17/2/163

Internet

https://www.mdpi.com/1424-8247/17/2/163

Similar Items