Effect of Anemarrhena Asphodeloside<italic style="font-style: italic"> </italic>BⅡ<italic style="font-style: italic"> </italic>on Osteoclast Differentiation Based on Molecular Docking

Meng FENG; Yuan-xia DANG; Fen LIU; Ju-ling XING; Zi-xin MO; Rui-jiao LUO; Xin-xin ZHOU

doi:10.13422/j.cnki.syfjx.20201906

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Effect of Anemarrhena Asphodeloside BⅡ on Osteoclast Differentiation Based on Molecular Docking

Pharmacology | 更新时间：2020-09-16

- Effect of Anemarrhena Asphodeloside BⅡ on Osteoclast Differentiation Based on Molecular Docking
- Chinese Journal of Experimental Traditional Medical Formulae Vol. 26, Issue 19, Pages: 146-152(2020)
- 作者机构：
  
  广州中医药大学中药学院，广州 510006
- 作者简介：
- 基金信息：
- DOI：10.13422/j.cnki.syfjx.20201906
  CLC： R2-0;R22;R285.5
- Received：13 January 2020，
  
  Published Online：21 July 2020，
  
  Published：05 October 2020
- 稿件说明：
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冯萌,党院霞,刘芬等.基于分子对接探究知母皂苷BⅡ对破骨细胞分化过程中的影响[J].中国实验方剂学杂志,2020,26(19):146-152.

FENG Meng,DANG Yuan-xia,LIU Fen,et al.Effect of Anemarrhena AsphodelosideBⅡon Osteoclast Differentiation Based on Molecular Docking[J].Chinese Journal of Experimental Traditional Medical Formulae,2020,26(19):146-152.
冯萌,党院霞,刘芬等.基于分子对接探究知母皂苷BⅡ对破骨细胞分化过程中的影响[J].中国实验方剂学杂志,2020,26(19):146-152. DOI： 10.13422/j.cnki.syfjx.20201906.

FENG Meng,DANG Yuan-xia,LIU Fen,et al.Effect of Anemarrhena AsphodelosideBⅡon Osteoclast Differentiation Based on Molecular Docking[J].Chinese Journal of Experimental Traditional Medical Formulae,2020,26(19):146-152. DOI： 10.13422/j.cnki.syfjx.20201906.

摘要

目的

探究知母皂苷BⅡ（TBⅡ）对破骨细胞分化过程中核转录因子-

B受体活化因子配基（RANKL），RANK，原癌基因（C-FOS）基因表达量的影响。

方法

利用分子对接软件LeDock对TBⅡ分别与RANKL，RANK和C-FOS进行分子对接打分。RAW264.7细给予可溶性RANKL（sRANKL）干预，设立空白组，sRANKL组（模型组），淫羊藿苷（Ica）组，TBⅡ低剂量组（2 μmol·L

-1

），TBⅡ中剂量组（4 μmol·L

-1

），TBⅡ高剂量组（8 μmol·L

-1

）。相应试剂盒检测破骨细胞分化的标志性酶（TRAP），实时荧光定量聚合酶链式反应（Real-time PCR）检测C-FOS，与其上游RANKL/RANK和下游活化T细胞核因子胞质1型(NFATC1)表达量，以及骨保护素OPG的表达量。

结果

分子对接打分结果分别为-11.86，-11.38，-12.34 kcal·mol

-1

，TBⅡ能够与RANKL，RANK和C-FOS结合。与正常组比较，模型组TRAP含量显著升高（

0.01）；与模型组比较，各给药组显著降低TRAP含量（

0.01），且TBⅡ呈剂量依赖性降低TRAP含量。与正常组比较，模型组RANKL，RANK，C-FOS，NFATC1表达量显著升高（

0.01），OPG表达量显著降低（

0.01）；与模型组比较，各给药组显著降低RANKL，RANK，C-FOS，NFATC1表达量（

0.01），显著升高OPG表达量（

0.01）。

结论

TBⅡ可能通过调控RANKL/RANK/C-FOS信号通路，抑制破骨细胞前体细胞向破骨细胞的分化，抑制破骨细胞活性，减少骨吸收，改善骨质疏松。

Abstract

Objective

To explore the effect of anemarrhena asphodeloside BⅡ (TBⅡ)

on the expressions of nuclear transcription factor-

B receptor activator factor ligand （RANKL）

RANK and C-FOS genes during osteoclast differentiation.

Method

Molecular docking software LeDock was used to score the docking of TBⅡ

with RANKL

RANK and C-FOS. RAW264.7 was treated with soluble RANKL（sRANKL） and divided into control group

sRANKL group (model group)

Icariin (Ica) group

low-dose TBIⅡ group (2 μmol·L

-1

)

medium-dose TBⅡ group (4 μmol·L

-1

)

and high-dose TBⅡ group (8 μmol·L

-1

). The corresponding kit was used to detect iconic enzyme (TRAP) of osteoclast differentiation. Total RNA was extracted by trizol method

Real-time fluorescence quantitative polymerase chain reaction (Real-time PCR) was used to detect the expressions of C-FOS

upstream RANKL/RANK and downstream nuclear factor of activated T-cells cytoplasmic 1 (NFATC1)

and osteoprotegerin OPG.

Result

The molecular docking score were -11.86

-11.38

-12.34 kcal·mol

-1

and there might be multiple binding sites between

TBII

as well as RANKL

RANK and C-FOS. Compared with the control group

the content of TRAP in model group increased significantly (

0.01)

and compared with model group

the content of TRAP in each administration group decreased significantly (

0.01)

and TBⅡ decreased the content of TRAP in a dose-dependent manner. Compared with the control group

the expressions of RANKL

RANK

C-FOS and NFATC1 increased (

0.01)

whereas the expression of OPG decreased (

0.01) in model group. Compared with model group

the expressions of RANKL

RANK

C-FOS and NFATC1 decreased (

0.01)

while the expression of OPG increased (

0.01) in each administration group.

Conclusion

TBⅡ may inhibit the differentiation of osteoclast precursors into osteoclasts

inhibit osteoclast activity

reduce bone resorption and improve osteoporosis by regulating RANKL/RANK/C-FOS signal pathway.

关键词

Keywords

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⁰

Effect of Anemarrhena Asphodeloside BⅡ on Osteoclast Differentiation Based on Molecular Docking

DOI：10.13422/j.cnki.syfjx.20201906

摘要

Abstract

关键词

Keywords

references