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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Podrobná bibliografie

Hlavní autoři:	Hanyang Xiao, Yan Gui, Xianfei Li, Wen Dai, Chuanhua Feng, Gang Li, Jiangnan Luo
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Elsevier 2024-09-01
Edice:	Heliyon
Témata:	Essential oil Solanum lyratum Thunb. Molecular docking Molecular dynamics simulation COX-2 enzyme
On-line přístup:	http://www.sciencedirect.com/science/article/pii/S2405844024136833
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