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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...

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Uloženo v:
Hlavní autoři: 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
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI AG 2023-01-01
Edice:Life
Témata:
3D-QSAR
PLK1 inhibitors
molecular docking
dynamic simulation
anti-cancer
On-line přístup:https://www.mdpi.com/2075-1729/13/1/127
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