Molecular docking and pharmacogenomics of Vinca alkaloids and their monomeric precursors, vindoline and catharanthine

Biochemical Pharmacology

Volumn 81, Issue 6, 2011, Pages 723-735

  Sertel, Serkan ^a,c,e   Fu, Yujie ^b   Zu, Yuangang ^b   Rebacz, Blanka ^a   Konkimalla, Badireenath ^c   Plinkert, Peter K ^a   Krämer, Alwin ^a   Gertsch, Jürg ^d   Efferth, Thomas ^c,e  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b NORTHEAST FORESTRY UNIVERSITY   (China)

^c GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

^d UNIVERSITY OF BERN   (Switzerland)

^e JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

Centrosomal clustering; Molecular docking; Multidrug resistance; Pharmacogenomics; Vinca alkaloids

Indexed keywords

CATHARANTHINE; GLYCOPROTEIN P; MESSENGER RNA; NAVELBINE; TUBULIN; VINBLASTINE; VINCRISTINE; VINDESINE; VINDOLINE;

ARTICLE; CELL DEATH; CELL LINE; CELL POLARITY; CROSS RESISTANCE; CYTOTOXICITY; DRUG SENSITIVITY; HUMAN; HUMAN CELL; MICROARRAY ANALYSIS; MOLECULAR DOCKING; NUCLEOTIDE SEQUENCE; PHARMACOGENOMICS; PRIORITY JOURNAL; PROTEIN EXPRESSION; UNINDEXED SEQUENCE;

ANIMALS; CATHARANTHUS; CELL DEATH; CELL LINE, TUMOR; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DELIVERY SYSTEMS; HUMANS; MITOTIC SPINDLE APPARATUS; MULTIDRUG RESISTANCE-ASSOCIATED PROTEINS; PHARMACOGENETICS; PROTEIN BINDING; SWINE; TUBULIN MODULATORS; VINBLASTINE; VINCA ALKALOIDS;

EID: 79952007305     PISSN: 00062952     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bcp.2010.12.026     Document Type: Article

References (24)

1. Cragg GM, Grothaus PG, Newman DJ. Impact of natural products on developing new anti-cancer agents. Chem Rev 2009;109:3012-43.
2. Okouneva T, Hill BT, Wilson L, Jordan MA. The effects of vinflunine, vinorelbine, and vinblastine on centromere dynamics. Mol Cancer Ther 2003;2:427-36.
3. Gidding CE, Kellie SJ, Kamps WA, de Graaf SS. Vincristine revisited. Crit Rev Oncol Hematol 1999;29:267-87. (Pubitemid 29158972)
4. Rebacz B, Larsen TO, Clausen MH, Ronnest MH, Loffler H, Ho AD, et al. Identification of griseofulvin as an inhibitor of centrosomal clustering in a phenotype-based screen. Cancer Res 2007;67:6342-50. (Pubitemid 47037517)
5. Leber B, Maier B, Fuchs F, Chi J, Riffel P, Anderhub S, et al. Proteins required for centrosome clustering in cancer cells. Sci Transl Med 2010;2(33):ra38.
6. Zhang L, Yang L, Niu H, Zu Y. Separation of vindoline, catharanthine and vinblastine from catharanthus roseus (l.) g.Don with macroporous adsorption resin. J Chem Ind Eng (China) 2008;59:607-14. (Pubitemid 351477455)
7. El-Sayed M, Verpoorte R. Catharanthus terpenoid indole alkaloids: biosynthesis and regulation. Phytochem Rev 2007;6:277-305. (Pubitemid 46870971)
8. Kimmig A, Gekeler V, Neumann M, Frese G, Handgretinger R, Kardos G, et al. Susceptibility of multidrug-resistant human leukemia cell lines to human interleukin 2-activated killer cells. Cancer Res 1990;50:6793-9. (Pubitemid 20361069)
9. Alley MC, Scudiero DA, Monks A, Hursey ML, Czerwinski MJ, Fine DL, et al. Feasibility of drug screening with panels of human tumor cell lines using a microculture tetrazolium assay. Cancer Res 1988;48:589-601. (Pubitemid 18056527)
10. Rubinstein LV, Shoemaker RH, Paull KD, Simon RM, Tosini S, Skehan P, et al. Comparison of in vitro anticancer-drug-screening data generated with a tetrazolium assay versus a protein assay against a diverse panel of human tumor cell lines. J Natl Cancer Inst 1990;82:1113-8. (Pubitemid 20213251)
11. Castoldi M, Popova AV. Purification of brain tubulin through two cycles of polymerization-depolymerization in a high-molarity buffer. Protein Expres Purif 2003;32:83-8. (Pubitemid 37436140)
12. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, et al. The protein data bank. Nucleic Acids Res 2000;28:235-42. (Pubitemid 30047768)
13. Schuttelkopf AW, van Aalten DM. Prodrg: a tool for high-throughput crystallography of protein-ligand complexes. Acta Crystallogr D Biol Crystallogr 2004;60:1355-63. (Pubitemid 41079731)
14. DeLano WL. The pymol molecular graphics system. San Carlos, CA, USA: DeLano Scientific; 2002.
15. Scherf U, Ross DT, Waltham M, Smith LH, Lee JK, Tanabe L, et al. A gene expression database for the molecular pharmacology of cancer. Nat Genet 2000;24:236-44. (Pubitemid 30132190)
16. Amundson SA, Do KT, Vinikoor LC, Lee RA, Koch-Paiz CA, Ahn J, et al. Integrating global gene expression and radiation survival parameters across the 60 cell lines of the national cancer institute anticancer drug screen. Cancer Res 2008;68:415-24. (Pubitemid 351380067)
17. Wosikowski K, Schuurhuis D, Johnson K, Paull KD, Myers TG, Weinstein JN, et al. Identification of epidermal growth factor receptor and c-erbb2 pathway inhibitors by correlation with gene expression patterns. J Natl Cancer Inst 1997;89:1505-15. (Pubitemid 27441175)
18. Efferth T, Fabry U, Osieka R. Apoptosis and resistance to daunorubicin in human leukemic cells. Leukemia 1997;11:1180-6. (Pubitemid 27345974)
19. Gigant B, Wang C, Ravelli RB, Roussi F, Steinmetz MO, Curmi PA, et al. Structural basis for the regulation of tubulin by vinblastine. Nature 2005;435:519-22. (Pubitemid 40734250)
20. Sobolev V, Sorokine A, Prilusky J, Abola EE, Edelman M. Automated analysis of interatomic contacts in proteins. Bioinformatics 1999;15:327-32. (Pubitemid 29213759)
21. Tang Z, Yang L, Zu Y, Guo X. Variations of vinblastine accumulation and redox state affected by exogenous h2o2 in catharanthus roseus (l.) g. Don. Plant Growth Regul 2009;57:15-20. (Pubitemid 50256859)
22. Quintyne NJ, Reing JE, Hoffelder DR, Gollin SM, Saunders WS. Spindle multipolarity is prevented by centrosomal clustering. Science 2005;307:127-9.
23. Prakash V, Timasheff SN. Mechanism of interaction of vinca alkaloids with tubulin: catharanthine and vindoline. Biochemistry 1991;30:873-80.
24. Cohen-Kashi Malina K, Cooper I, Teichberg VI. Closing the gap between the invivo and in-vitro blood-brain barrier tightness. Brain Res 2009;1284: 12-21.