3D-QSAR Studies, Molecular Docking, Molecular Dynamic Simulation, and ADMET Proprieties of Novel Pteridinone Derivatives as PLK1 Inhibitors for the Treatment of Prostate Cancer

3D-QSAR Studies, Molecular Docking, Molecular Dynamic Simulation, and ADMET Proprieties of Novel Pteridinone Derivatives as PLK1 Inhibitors for the Treatment of Prostate Cancer

Overexpression of polo-like kinase 1 (PLK1) has been found in many different types of cancers. With its essential role in cell proliferation, PLK1 has been determined to be a broad-spectrum anti-cancer target. In this study, 3D-QSAR, molecular docking, and molecular dynamics (MD) simulations were ap...

Full description

Bibliographic Details
Main Authors: Mohammed Er-rajy, Mohamed El fadili, Hamada Imtara, Aamir Saeed, Abid Ur Rehman, Sara Zarougui, Shaef A. Abdullah, Ahmad Alahdab, Mohammad Khalid Parvez, Menana Elhallaoui
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Life
Subjects:
3D-QSAR
PLK1 inhibitors
molecular docking
dynamic simulation
anti-cancer
Online Access:https://www.mdpi.com/2075-1729/13/1/127

Internet

https://www.mdpi.com/2075-1729/13/1/127

Similar Items