Towards the mode of action of Strobilanthes crispus through integrated computational and experimental analyses
暂无分享,去创建一个
[1] Petra Schneider,et al. Revealing the macromolecular targets of complex natural products. , 2014, Nature chemistry.
[2] M. J. Chalmers,et al. Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor α Ligand Binding Domain* , 2013, The Journal of Biological Chemistry.
[3] Laxmikant V. Kalé,et al. Scalable molecular dynamics with NAMD , 2005, J. Comput. Chem..
[4] K. Bland,et al. Conformationally defined retinoic acid analogues. 5. Large-scale synthesis and mammary cancer chemopreventive activity for (2E,4E,6Z,8E)-8-(3',4'-dihydro-1'(2'H)-naphthalen-1'-ylidene)-3,7-dimethyl-2,4,6-octatrienoic acid (9cUAB30). , 2003, Journal of medicinal chemistry.
[5] J. Westendorf,et al. Comparison of an array of in vitro assays for the assessment of the estrogenic potential of natural and synthetic estrogens, phytoestrogens and xenoestrogens. , 2001, Toxicology.
[6] Andreas Bender,et al. Chemogenomics Approaches to Rationalizing the Mode-of-Action of Traditional Chinese and Ayurvedic Medicines , 2013, J. Chem. Inf. Model..
[7] Gaël Varoquaux,et al. Scikit-learn: Machine Learning in Python , 2011, J. Mach. Learn. Res..
[8] G. Lóarca-Piña,et al. Dietary Supplementation of Lutein Reduces Colon Carcinogenesis in DMH-Treated Rats by Modulating K-ras, PKB, and β-catenin Proteins , 2010, Nutrition and cancer.
[9] C. Johannes,et al. Oxidation products of stigmasterol interfere with the action of the female sex hormone 17beta-estradiol in cultured human breast and endometrium cell lines. , 2007, Molecular nutrition & food research.
[10] J. Bolton,et al. Serotonergic activity-guided phytochemical investigation of the roots of Angelica sinensis. , 2006, Journal of natural products.
[11] B. Lomenick,et al. Identification and characterization of β-sitosterol target proteins. , 2015, Bioorganic & medicinal chemistry letters.
[12] A. Alves-Rodrigues,et al. The science behind lutein. , 2004, Toxicology letters.
[13] P. Bernstein,et al. Structure of the lutein-binding domain of human StARD3 at 1.74 Å resolution and model of a complex with lutein , 2016, Acta crystallographica. Section F, Structural biology communications.
[14] Evan Bolton,et al. PubChem's BioAssay Database , 2011, Nucleic Acids Res..
[15] Vladimir Poroikov,et al. Multi-targeted natural products evaluation based on biological activity prediction with PASS. , 2010, Current pharmaceutical design.
[16] V. Navaratnam,et al. Anticancer activity of a sub-fraction of dichloromethane extract of Strobilanthes crispus on human breast and prostate cancer cells in vitro , 2010, BMC complementary and alternative medicine.
[17] Pekka Tiikkainen,et al. Computational tools for polypharmacology and repurposing. , 2011, Future medicinal chemistry.
[18] Andreas Bender,et al. In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window , 2013, J. Chem. Inf. Model..
[19] P. Bradford,et al. beta-Sitosterol enhances tamoxifen effectiveness on breast cancer cells by affecting ceramide metabolism. , 2008, Molecular nutrition & food research.
[20] S. Catalano,et al. Bid as a potential target of apoptotic effects exerted by low doses of PPARγ and RXR ligands in breast cancer cells , 2011, Cell cycle.
[21] F. Othman,et al. Effect of Strobilanthes crispus on the Histology and Tumour Marker Enzymes in Rat Liver During Hepatocarcinogenesis , 2005 .
[22] R. Stephens,et al. Increased NOS2 predicts poor survival in estrogen receptor-negative breast cancer patients. , 2010, The Journal of clinical investigation.
[23] H. Nurraihana,et al. Phytochemistry, pharmacology and toxicology properties of Strobilanthes crispus. , 2013 .
[24] P. Bernstein,et al. Identification of StARD3 as a lutein-binding protein in the macula of the primate retina. , 2011, Biochemistry.
[25] M. Baes,et al. Peroxisomal multifunctional protein-2: the enzyme, the patients and the knockout mouse model. , 2006, Biochimica et biophysica acta.
[26] A. Bender,et al. Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME. , 2006, IDrugs : the investigational drugs journal.
[27] S. Fuqua,et al. Combined low doses of PPARgamma and RXR ligands trigger an intrinsic apoptotic pathway in human breast cancer cells. , 2009, The American journal of pathology.
[28] S. Mizuno,et al. beta-Cryptoxanthin, a novel natural RAR ligand, induces ATP-binding cassette transporters in macrophages. , 2007, Biochemical pharmacology.
[29] Andreas Bender,et al. Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes , 2016, Evidence-based complementary and alternative medicine : eCAM.
[30] A. Jemal,et al. Breast cancer statistics, 2013 , 2014, CA: a cancer journal for clinicians.
[31] S. Kliewer,et al. The nuclear xenobiotic receptor CAR: structural determinants of constitutive activation and heterodimerization. , 2004, Molecular cell.
[32] Renata C. Geer,et al. The NCBI BioSystems database , 2009, Nucleic Acids Res..
[33] Alessandro Pedretti,et al. VEGA – An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming , 2004, J. Comput. Aided Mol. Des..
[34] B. Li,et al. Specific carotenoid intake is inversely associated with the risk of breast cancer among Chinese women , 2014, British Journal of Nutrition.
[35] P. Bradford,et al. Modulation of signal transduction in cancer cells by phytosterols , 2010, BioFactors.
[36] R. Mensink,et al. Plant sterols and stanols: effects on mixed micellar composition and LXR (target gene) activation Published, JLR Papers in Press, September 8, 2005. DOI 10.1194/jlr.M500272-JLR200 , 2005, Journal of Lipid Research.
[37] Andreas Bender,et al. Target prediction utilising negative bioactivity data covering large chemical space , 2015, Journal of Cheminformatics.
[38] L. D. De Luca,et al. p21WAF1/CIP1 Is a Common Transcriptional Target of Retinoid Receptors , 2007, Journal of Biological Chemistry.
[39] Paul S Bernstein,et al. Identification and Characterization of a Pi Isoform of Glutathione S-Transferase (GSTP1) as a Zeaxanthin-binding Protein in the Macula of the Human Eye* , 2004, Journal of Biological Chemistry.
[40] J. Buring,et al. Circulating carotenoids and risk of breast cancer: pooled analysis of eight prospective studies. , 2012, Journal of the National Cancer Institute.
[41] Julio Daniel Carvalho Maia,et al. GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry Calculations. , 2012, Journal of chemical theory and computation.
[42] P. De Camilli,et al. Structure of a lipid-bound Extended-Synaptotagmin indicates a role in lipid transfer , 2014, Nature.
[43] Zheng Yin,et al. Improving chemical similarity ensemble approach in target prediction , 2016, Journal of Cheminformatics.
[44] L. Rapp,et al. Lutein and zeaxanthin concentrations in rod outer segment membranes from perifoveal and peripheral human retina. , 2000, Investigative ophthalmology & visual science.
[45] S. Khalifa,et al. Evaluation of chemopreventive potential of Strobilanthes crispus against colon cancer formation in vitro and in vivo , 2015, BMC Complementary and Alternative Medicine.
[46] R. Selvaraj,et al. Lutein and eicosapentaenoic acid interact to modify iNOS mRNA levels through the PPARgamma/RXR pathway in chickens and HD11 cell lines. , 2006, The Journal of nutrition.
[47] T. Tan,et al. Epithelial-mesenchymal transition spectrum quantification and its efficacy in deciphering survival and drug responses of cancer patients , 2014, EMBO molecular medicine.
[48] M. Lenburg,et al. Smad signaling is required to maintain epigenetic silencing during breast cancer progression. , 2010, Cancer research.
[49] Antonio Lavecchia,et al. In silico methods to address polypharmacology: current status, applications and future perspectives. , 2016, Drug discovery today.
[50] M. Rafi,et al. Dietary lutein modulates growth and survival genes in prostate cancer cells. , 2015, Journal of medicinal food.
[51] M. Wicha,et al. Differential regulation of apoptosis in normal versus transformed mammary epithelium by lutein and retinoic acid. , 2000, Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology.
[52] J. Brtko. Retinoids, rexinoids and their cognate nuclear receptors: character and their role in chemoprevention of selected malignant diseases. , 2007, Biomedical papers of the Medical Faculty of the University Palacky, Olomouc, Czechoslovakia.
[53] D. Greenwood,et al. Dietary compared with blood concentrations of carotenoids and breast cancer risk: a systematic review and meta-analysis of prospective studies. , 2012, The American journal of clinical nutrition.
[54] S. Otani,et al. Potent suppressive activity of pheophytin a and b from the non-polyphenolic fraction of green tea (Camellia sinensis) against tumor promotion in mouse skin. , 1998, Cancer letters.
[55] N. Yaacob,et al. Synergistic anticancer effects of a bioactive subfraction of Strobilanthes crispus and tamoxifen on MCF-7 and MDA-MB-231 human breast cancer cell lines , 2014, BMC Complementary and Alternative Medicine.
[56] F. Khachik,et al. Identification and quantitation of carotenoids and their metabolites in the tissues of the human eye. , 2001, Experimental eye research.
[57] John P. Overington,et al. ChEMBL: a large-scale bioactivity database for drug discovery , 2011, Nucleic Acids Res..
[58] N. Yaacob,et al. Anti-Tumor Action, Clinical Biochemistry Profile and Phytochemical Constituents of a Pharmacologically Active Fraction of S. crispus in NMU-Induced Rat Mammary Tumour Model , 2015, PloS one.
[59] T. Yanagita,et al. Campest-5-en-3-one, an oxidized derivative of campesterol, activates PPARalpha, promotes energy consumption and reduces visceral fat deposition in rats. , 2006, Biochimica et biophysica acta.
[60] S. Inoue,et al. Lutein, a Nonprovitamin A, Activates the Retinoic Acid Receptor to Induce HAS3-Dependent Hyaluronan Synthesis in Keratinocytes , 2013, Bioscience, biotechnology, and biochemistry.
[61] Hong Zhao,et al. Inhibition of iNOS as a novel effective targeted therapy against triple-negative breast cancer , 2015, Breast Cancer Research.
[62] Yoshihiro Yamanishi,et al. Target-Based Drug Repositioning Using Large-Scale Chemical-Protein Interactome Data , 2015, J. Chem. Inf. Model..
[63] A. Jemal,et al. Breast Cancer Statistics , 2013 .
[64] J. Adamski,et al. Multifunctionality of human 17β-hydroxysteroid dehydrogenases , 2006, Molecular and Cellular Endocrinology.
[65] D. Berry,et al. Impact of neoadjuvant chemotherapy in stage II-III triple negative breast cancer on eligibility for breast-conserving surgery and breast conservation rates: surgical results from CALGB 40603 (Alliance). , 2015, Annals of surgery.
[66] Jinyong Peng,et al. In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics , 2015, BMC Complementary and Alternative Medicine.
[67] Wei Zhou,et al. A novel systems pharmacology model for herbal medicine injection: a case using reduning injection , 2014, BMC Complementary and Alternative Medicine.
[68] T. Wong,et al. Dietary lutein from marigold extract inhibits mammary tumor development in BALB/c mice. , 1998, The Journal of nutrition.
[69] F. Zsila,et al. Association studies of aggregated aqueous lutein diphosphate with human serum albumin and alpha1-acid glycoprotein in vitro: evidence from circular dichroism and electronic absorption spectroscopy. , 2006, Bioorganic & medicinal chemistry letters.
[70] Binxing Li,et al. Lutein, zeaxanthin, and meso-zeaxanthin: The basic and clinical science underlying carotenoid-based nutritional interventions against ocular disease , 2016, Progress in Retinal and Eye Research.
[71] W. Willett,et al. Carotenoid intakes and risk of breast cancer defined by estrogen receptor and progesterone receptor status: a pooled analysis of 18 prospective cohort studies. , 2012, The American journal of clinical nutrition.
[72] Michael J. Keiser,et al. Large Scale Prediction and Testing of Drug Activity on Side-Effect Targets , 2012, Nature.
[73] W. Gradishar,et al. nab-Paclitaxel for first-line treatment of patients with metastatic breast cancer and poor prognostic factors: a retrospective analysis , 2013, Breast Cancer Research and Treatment.
[74] B. Chew,et al. Dietary lutein inhibits mouse mammary tumor growth by regulating angiogenesis and apoptosis. , 2003, Anticancer research.
[75] Philippe Lefebvre,et al. Retinoid X receptors: common heterodimerization partners with distinct functions , 2010, Trends in Endocrinology & Metabolism.
[76] J. Sangiovanni,et al. Lutein and zeaxanthin protect photoreceptors from apoptosis induced by oxidative stress: relation with docosahexaenoic acid. , 2007, Investigative ophthalmology & visual science.
[77] I. Kapetanovic,et al. Assessment of oral toxicity and safety of 9-cis-UAB30, a potential chemopreventive agent, in rat and dog studies , 2011, Drug and chemical toxicology.
[78] Michael J. Keiser,et al. Relating protein pharmacology by ligand chemistry , 2007, Nature Biotechnology.
[79] M. Taimi,et al. Conformationally defined retinoic acid analogues. 4. Potential new agents for acute promyelocytic and juvenile myelomonocytic leukemias. , 1998, Journal of medicinal chemistry.
[80] K. Wong,et al. Cell Cycle Modulation of MCF-7 and MDA-MB-231 by a Sub- Fraction of Strobilanthes crispus and its Combination with Tamoxifen. , 2016, Asian Pacific journal of cancer prevention : APJCP.
[81] Thomas Stützle,et al. Empirical Scoring Functions for Advanced Protein-Ligand Docking with PLANTS , 2009, J. Chem. Inf. Model..
[82] A. Majid,et al. Anti-angiogenic and cytotoxicity studies of some medicinal plants. , 2010, Planta medica.