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Explore on screening COX-2 inhibitors from the essential oil of Solanum lyratum Thunb. By molecular docking and molecular dynamics simulation

This study aimed to investigate Solanum lyratum Thunb. with respect to the potential ingredients with anti-inflammatory activity from its essential oil by silico study. To this regard, the essential oil of Solanum lyratum Thunb. was extracted by hydrodistillation. 25 compounds were identified by GC-...

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Principais autores: Hanyang Xiao, Yan Gui, Xianfei Li, Wen Dai, Chuanhua Feng, Gang Li, Jiangnan Luo
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2024-09-01
Serier:Heliyon
Fag:
Essential oil
Solanum lyratum Thunb.
Molecular docking
Molecular dynamics simulation
COX-2 enzyme
Online adgang:http://www.sciencedirect.com/science/article/pii/S2405844024136833
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