The Inhibitory Mechanism of 7<i>H</i>-Pyrrolo[2,3-d]pyrimidine Derivatives as Inhibitors of P21-Activated Kinase 4 through Molecular Dynamics Simulation

The overexpression of p21-activated kinase 4 (PAK4) is associated with a variety of cancers. In this paper, the binding modes and inhibitory mechanisms of four 7<i>H</i>-pyrrolo[2,3-d]pyrimidine competitive inhibitors of PAK4 were investigated at the molecular level, mainly using molecular dynamics...

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Bibliografiska uppgifter

Huvudupphov:	Juan Du, Song Wang, Xinyue Zhang, Chang Liu, Yurou Zhang, Hao Zhang
Materialtyp:	Artigo
Språk:	Inglês
Utgiven:	MDPI AG 2023-01-01
Serie:	Molecules
Ämnen:	PAK4 7<i>H</i>-pyrrolo[2,3-d]pyrimidine molecular dynamics simulation MM/PBSA inhibitory mechanism
Länkar:	https://www.mdpi.com/1420-3049/28/1/413
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