Investigation into the Binding Site of (-)-Spirobrassinin for Herbicidal Activity Using Molecular Docking and Molecular Dynamics Simulations

(-)-Spirobrassinin, a glucosinolate compound from Brassicaceae plants, has shown inhibitory effects on weeds. However, its specific target sites are not well explored. This study used molecular docking, molecular dynamics simulations, and biological experiments to investigate (-)-Spirobrassinin’s ta...

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Autors principals:	Yu Wang, Baozhu Dong, Dong Wang, Xinyu Jia, Qian Zhang, Wanyou Liu, Hongyou Zhou
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2023-06-01
Col·lecció:	Applied Sciences
Matèries:	(-)-Spirobrassinin PSBD1 molecular docking molecular dynamics simulations binding energy
Accés en línia:	https://www.mdpi.com/2076-3417/13/12/7287
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