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In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza

  • Authors:
    • Zhengshang Ruan
    • Lei Niu
    • Li Han
    • Rongrong Ren
    • Zhenyu Xu
    • Wenwen Dong
    • Lai Jiang
  • View Affiliations / Copyright

    Affiliations: Department of Anesthesiology and Surgical Intensive Care Unit, Xinhua Hospital, Shanghai Jiaotong University School of Medicine, Shanghai 200092, P.R. China, Department of Emergency, Xinhua Hospital, Shanghai Jiaotong University School of Medicine, Shanghai 200092, P.R. China , Department of Geriatrics, Xinhua Hospital, Shanghai Jiaotong University School of Medicine, Shanghai 200092, P.R. China , Department of Emergency, Shanghai Seventh People's Hospital, Shanghai 200437, P.R. China
    Copyright: © Ruan et al. This is an open access article distributed under the terms of Creative Commons Attribution License.
  • Pages: 1131-1140
    |
    Published online on: June 18, 2019
       https://doi.org/10.3892/etm.2019.7679
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Abstract

Tanshinones are a class of abietane diterpene compounds extracted from Salvia miltiorrhiza, and have been used for medical purposes in traditional Chinese medicinal practices. This herb has been used in the treatment of chronic obstructive pulmonary disease (COPD), breast cancer and inflammatory disorders. This study examined the anti‑inflammatory properties of tanshinones. In addition, lipid‑soluble compounds which were specific to Tanshinone class were also highlighted, out of which two compounds, dihydrotanshinone I and cryptotanshinone were selected with the aim of creating a new research perspective in order to further elucidate the mechanisms of the pathogenesis of inflammatory diseases. Moreover, interaction analyses were carried out successfully to determine the interactions formed between both dihdrotanshinone I and cryptotanshinone, and target proteins. The bioactivity properties and various other pharmacokinetic and pharmacodynamic analyses discerned that crytptotanshinone was more effective dihydrotanshinone and more ‘drug‑like’ than its counterpart. It was found to have a better solubility and permeability, and thus has potential for use as an anti‑inflammatory agent.
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Copy and paste a formatted citation
Spandidos Publications style
Ruan Z, Niu L, Han L, Ren R, Xu Z, Dong W and Jiang L: In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza. Exp Ther Med 18: 1131-1140, 2019.
APA
Ruan, Z., Niu, L., Han, L., Ren, R., Xu, Z., Dong, W., & Jiang, L. (2019). In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza. Experimental and Therapeutic Medicine, 18, 1131-1140. https://doi.org/10.3892/etm.2019.7679
MLA
Ruan, Z., Niu, L., Han, L., Ren, R., Xu, Z., Dong, W., Jiang, L."In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza". Experimental and Therapeutic Medicine 18.2 (2019): 1131-1140.
Chicago
Ruan, Z., Niu, L., Han, L., Ren, R., Xu, Z., Dong, W., Jiang, L."In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza". Experimental and Therapeutic Medicine 18, no. 2 (2019): 1131-1140. https://doi.org/10.3892/etm.2019.7679
Copy and paste a formatted citation
x
Spandidos Publications style
Ruan Z, Niu L, Han L, Ren R, Xu Z, Dong W and Jiang L: In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza. Exp Ther Med 18: 1131-1140, 2019.
APA
Ruan, Z., Niu, L., Han, L., Ren, R., Xu, Z., Dong, W., & Jiang, L. (2019). In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza. Experimental and Therapeutic Medicine, 18, 1131-1140. https://doi.org/10.3892/etm.2019.7679
MLA
Ruan, Z., Niu, L., Han, L., Ren, R., Xu, Z., Dong, W., Jiang, L."In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza". Experimental and Therapeutic Medicine 18.2 (2019): 1131-1140.
Chicago
Ruan, Z., Niu, L., Han, L., Ren, R., Xu, Z., Dong, W., Jiang, L."In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza". Experimental and Therapeutic Medicine 18, no. 2 (2019): 1131-1140. https://doi.org/10.3892/etm.2019.7679
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