(1. Graduate School, Shanghai University of Traditional Chinese Medicine, Shanghai 200120; 2. College of Microelectronics, Shanghai University, Shanghai 201800; 3. Clinical Research Center, Jiading District Central Hospital Affiliated to Shanghai University of Medicine & Health Sciences, Shanghai 201800, China)
Abstract:Objective: To screen bonepromoting compounds from Salvia miltiorrhiza by molecular docking technology and verify their activity in vitro. Methods: TCMSP database was used to query the active components of Salvia miltiorrhiza. Molecular docking was performed by Autodock vina. Cell proliferation was investigated by CCK-8 assay. Alkaline phosphatase (ALP) activity test, DAPI-Photopeptide double staining and alizarin red staining were used to observe the promoting effect on bone. Results: Four active components, including danshensu, salvianolic acid B, tanshinone ⅡA and cryptotanshinone, were obtained by preliminary screening. CCK8 results showed that salvianolic acid B could promote the proliferation of preosteoblasts in MC3T3-E1 mouse preosteoblast cells. ALP activity assay showed that danshensu and salvianolic acid B significantly increased ALP activity. The results showed that salvianolic acid B could promote bone formation in MC3T3-E1 cells by DAPI-Phopeptide double staining and alizarin red staining. Conclusion: Salvianolic acid B screened by molecular docking technology is proved to exert certain osteogenic effect after activity verification.
周紫艳,孙苗苗,唐晔翎,等,. 基于虚拟筛选的丹参促成骨化合物筛选及活性验证[J]. 江苏大学学报:医学版, 2022, 32(05): 444-451.
ZHOU Ziyan1, SUN Miaomiao1, TANG Yeling1, LIANG Pengchen2, LIANG Dongyu3, CHANG Qing1,3. Screening and activity verification of osteogenic compounds from Salvia miltiorrhiza based on virtual screening#br#. Journal of Jiangsu University(Medicine Edition), 2022, 32(05): 444-451.
[1]Compston JE, McClung MR, Leslie WD. Osteoporosis[J]. Lancet, 2019, 393(10169): 364-376.
[2]梁鹏晨, 周紫艳, 常庆, 等. 基于L1000数据集筛选骨质疏松症的潜在治疗化合物[J].江苏大学学报(医学版), 2022, 32(1): 1-7,12.
[3]万新焕, 王瑜亮, 周长征, 等. 丹参化学成分及其药理作用研究进展[J].中草药, 2020, 51(3): 788-798.
[4]郭鱼波, 王丽丽, 马如风, 等. 骨质疏松的中医病因病机分析及其中医药治疗的前景探讨[J]. 世界科学技术—中医药现代化, 2015, 17(4): 768-772.
[5]Zhuang YL, Sun XD, Liu BT, et al. Effects of rambutan peel(Nepheliumlappaceum) phenolic extract on RANKLinduced differentiation of RAW264.7 cells into osteoclasts and retinoic acidinduced osteoporosis in rats[J]. Nutrients, 2020, 12(4): 883.
[6]Guo YB, Li Y, Xue LM, et al. Salvia miltiorrhiza: an ancient Chinese herbal medicine as a source for antiosteoporotic drugs[J]. J Ethnopharmacol, 2014, 155(3): 1401-1416.
[7]Pinzi L, Rastelli G. Molecular docking: shifting paradigms in drug discovery[J]. Int J Mol Sci, 2019, 20(18): 4331.
[8]Li J, Fu A, Zhang L. Anoverview of scoring functions used for proteinligand interactions in molecular docking[J]. Interdiscip Sci, 2019, 11(2): 320-328.
[9]Anthamatten A, Parish A. Clinical update on osteoporosis[J]. J Midwifery Womens Health, 2019, 64(3): 265-275.
[10]Guo R, Li L, Su J, et al. Pharmacological activity and mechanism of tanshinone ⅡA in related diseases[J]. Drug Des Devel Ther, 2020, 14: 4735-4748.
[11]MEIm XD, Cao YF, Che YY, et al. Danshen: a phytochemical and pharmacological overview[J]. Chin J Nat Med, 2019, 17(1): 59-80.
[12]Zhang J, Zhang Q, Liu G, et al. Therapeutic potentials and mechanisms of the Chinese traditional medicine Danshensu[J]. Eur J Pharmacol, 2019, 864:172710.
[13]Ji C, Bi L, Li J, et al. Salvianolic acid Bloaded chitosan/hydroxyapatite scaffolds promotes the repair of segmental bone defect by angiogenesis and osteogenesis[J]. Int J Nanomedicine, 2019, 14: 8271-8284.
[14]Cui L, Li T, Liu Y, et al. Salvianolic acid B prevents bone loss in prednisonetreated rats through stimulation of osteogenesis and bone marrow angiogenesis[J]. PLoS One, 2012, 7(4): e34647.
[15]Xu D, Xu L, Zhou C,et al. Salvianolic acid B promotes osteogenesis of human mesenchymal stem cells through activating ERK signaling pathway[J]. Int J Biochem Cell Biol, 2014, 51: 1-9.
[16]Zhu SW, Wei WF, Liu ZW, et al. TanshinoneⅡA attenuates the deleterious effects of oxidative stress in osteoporosis through the NFκB signaling pathway[J]. Mol Med Rep, 2018, 17(5): 6969-6976.
[17]Wang WZ, Huang MD, Hui YG, et al. Cryptotanshinone inhibits RANKLinduced osteoclastogenesis by regulating ERK and NFκB signaling pathways[J]. J Cell Biochem, 2018. doi: 10.1002/jcb.28008.