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The forecast of anticancer targets of cryptotanshinone based on reverse pharmacophore-based screening technology

ISSN号：2095-6975
期刊名称：《中国天然药物：英文版》
时间：0
分类：R965[医药卫生—药理学;医药卫生—药学]
作者机构：[1]College of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China, [2]Jiangsu Key Laboratory for Pharmacology and Safety Evaluation of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing 210029, China, [3]School of Life Science, Yunnan University, Kunming 650091, China, [4]Traditional Chinese and Tibetan Medicine Research Centre, Medical College ofQinghai Univercity, Xining 810001, China
相关基金：This project was supported by the Natural Science Foundation of the Jiangsu Higher Education Institutions of China （No. 11KJB360004）, the Jiangsu Provincial Natural Science Foundation of China （No. BK2012458）, the National Natural Science Foundation of China （Nos. 81373232, 81173174, 81270514）, the National Key Technology R＆D Program during the 1 lth Five-Year Plan Period （No. 2008BAI51B02）, and the Doctoral Fund of Ministry of Education of China （No. 20113237110008）.

作者： YUAN Dong-Ping[1], LONG Jun[1], LU Yin[2], LIN Jie[3], TONG Li[4]

中文摘要：

Anticancer targets of cryptotanshinone were evaluated and rapidly forecasted with PharmMapper, a reverse pharmacophore-based screening platform, as well as drug target databases, including PDTD, DrugBank and TTD. The pathway analyses for the collection of anticancer targets screened were carried out based on the KEGG pathway database, followed by the forecast of potential pharmacological activities and pathways of the effects of cryptotanshinone, and verification of some of the targets screened using whole cell tests. The results showed that a total of eight targets with anticancer potential were screened, including MAP2K1, RARα, RXRα, PDK1, CHK1, AR, Ang-1 R, and Kif11. These targets are mainly related to four aspects of the cancer growth: the cell cycle, angiogenesis, apoptosis, and androgen receptor. The cell tests showed that cryptotanshinone can inhibit the viability of human hepatoma cells SMMC-7721, which is related to the reduction of expression of MAP2K1 mRNA. This method provides a strong clue for the study of the anticancer effects and mechanisms of action of cryptotanshinone in the future.

英文摘要：

Anticancer targets of cryptotanshinone were evaluated and rapidly forecasted with PharmMapper, a reverse pharmacophore-based screening platform, as well as drug target databases, including PDTD, DrugBank and TTD. The pathway analyses for the collection of anticancer targets screened were carried out based on the KEGG pathway database, followed by the forecast of potential pharmacological activities and pathways of the effects of cryptotanshinone, and verification of some of the targets screened using whole cell tests. The results showed that a total of eight targets with anticancer potential were screened, including MAP2K1, RARα, RXRα, PDK1, CHK1, AR, Ang-1 R, and Kifll. These targets are mainly related to four aspects of the cancer growth： the cell cycle, angiogenesis, apoptosis, and androgen receptor. The cell tests showed that cryptotanshinone can inhibit the viability of human hepatoma cells SMMC-7721, which is related to the reduction of expression of MAP2K1 mRNA. This method provides a strong clue for the study of the anticancer effects and mechanisms of action of cryptotanshinone in the future.

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