Virtual screening of anti-inflammatory components in Blumea balsamifera(L.)DC.And effect of ergosterol peroxide on NF-kB Signaling pathways
- Author:
Li LONG
1
;
Jun-Chao PENG
1
;
Hui YANG
1
;
Jia-Mei LIAO
1
;
Ya-Ling CAI
1
;
Lu WANG
1
Author Information
- Publication Type:Journal Article
- Keywords: Blumea balsamifera ( L.)DC.; ergosterol peroxide; molecular docking; NF-kB p65; signaling pathway; virtual screening
- From: Chinese Pharmacological Bulletin 2022;38(9):1357-1363
- CountryChina
- Language:Chinese
- Abstract: Aim To target the key proteins of TLR4 signaling pathway to sereen the compounds of Blumea baisamifera ( L.) DC.in order to explore the anti-in- flammatorv active components and the mechanism of action of key proteins targeting TLR4 signaling pathway in Blumea balsamifera( L.) DC.Methods The effects of ergosterol peroxide ( EP) on cell activity, LPS in¬duced inflammatory factor secretion and NF-kB related protein expression were detected by MTT, EL1SA, Western blot and Subcellular Structural Localization.Results The results showed EP, (3-sitosterol, 16- kaurene, carosterol, luteolin, ergosterol, hyperin and genkwa had more optimal interconnection score.EP (2.3 x 10"5 ~ 9.3 x 10 5 mol • L"1) inhibited the degradation and phosphorylation of inflammatory pro¬tein IkB and phosphorylation of NF-kB p65 down¬stream of TLR4 signaling pathway induced by LPS in BAW264.7 cells,and further inhibit the entrv of NF-kB p65 into the nucleus, thus inhibiting the secretion of cytokines IL-lp and 1L-6.Conclusions The antiin¬flammatory components of Blumea balsamifera ( L.) DC are identified by molecular docking technology and ac-tivity detection technique, and the anti-inflammatory action anrl mechanism of EP as active substances are e- luci dated.
