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丹参酮抗炎作用机制的比较分子对接分析及分析

comparative molecular docking analysis and analysis of the anti-inflammatory mechanisms of action of tanshinone from .

作者信息

Ruan Zhengshang, Niu Lei, Han Li, Ren Rongrong, Xu Zhenyu, Dong Wenwen, Jiang Lai

机构信息

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.

出版信息

Exp Ther Med. 2019 Aug;18(2):1131-1140. doi: 10.3892/etm.2019.7679. Epub 2019 Jun 18.

Abstract

Tanshinones are a class of abietane diterpene compounds extracted from , 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.

摘要

丹参酮是一类从[植物名称未给出]中提取的松香烷二萜化合物,在传统中医实践中已被用于医疗目的。这种草药已被用于治疗慢性阻塞性肺疾病(COPD)、乳腺癌和炎症性疾病。本研究考察了丹参酮的抗炎特性。此外,还重点介绍了丹参酮类特有的脂溶性化合物,从中选择了二氢丹参酮I和隐丹参酮这两种化合物,目的是开创一个新的研究视角,以进一步阐明炎症性疾病发病机制。此外,还成功进行了相互作用分析,以确定二氢丹参酮I和隐丹参酮与靶蛋白之间形成的相互作用。生物活性特性以及各种其他药代动力学和药效学分析表明,隐丹参酮比二氢丹参酮更有效,并且比其同类物更具“类药物”性质。发现它具有更好的溶解性和渗透性,因此有潜力用作抗炎剂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0394/6601134/f74e5c2e7e8b/etm-18-02-1131-g00.jpg

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