title: The forecast of anticancer targets of cryptotanshinone based on reverse pharmacophore-based screening technology.
abstract: 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.
authors: College of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.
authors: Dong-Ping
authors: DP
authors: Yuan
authors: College of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China. Electronic address: long_ydp@aliyun.com.
authors: Jun
authors: J
authors: Long
authors: Jiangsu Key Laboratory for Pharmacology and Safety Evaluation of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing 210029, China.
authors: Yin
authors: Y
authors: Lu
authors: School of Life Science, Yunnan University, Kunming 650091, China.
authors: Jie
authors: J
authors: Lin
authors: Traditional Chinese and Tibetan Medicine Research Centre, Medical College of Qinghai Univercity, Xining, 810001, China.
authors: Li
authors: L
authors: Tong
mesh_terms: D000972:Antineoplastic Agents, Phytogenic / Q000494:pharmacology* / Q000627:therapeutic use; D017209:Apoptosis / Q000187:drug effects; D006528:Carcinoma, Hepatocellular / Q000188:drug therapy / Q000235:genetics / Q000378:metabolism*; D002453:Cell Cycle; D045744:Cell Line, Tumor; D016208:Databases, Factual; D004365:Drugs, Chinese Herbal / Q000494:pharmacology* / Q000627:therapeutic use; D006801:Humans; D048369:MAP Kinase Kinase 1 / Q000378:metabolism; D009389:Neovascularization, Pathologic; D010616:Phenanthrenes / Q000494:pharmacology* / Q000627:therapeutic use; D008517:Phytotherapy; D012333:RNA, Messenger / Q000378:metabolism; D011944:Receptors, Androgen / Q000378:metabolism; D027561:Salvia miltiorrhiza / Q000737:chemistry*
chemical_list: C410798:AR protein, human; D000972:Antineoplastic Agents, Phytogenic; D004365:Drugs, Chinese Herbal; D010616:Phenanthrenes; D012333:RNA, Messenger; D011944:Receptors, Androgen; C037886:cryptotanshinone; D048369:MAP Kinase Kinase 1; C482125:MAP2K1 protein, human
keywords: Anticancer; Cryptotanshinone; Forecast of target; Human hepatoma cells; Pharmacophore; Reverse screening technology