Virtual screening, identification and experimental testing of novel inhibitors of PBEF1/Visfatin/NMPRTase for glioma therapy

Journal of Clinical Bioinformatics

Volumn 1, Issue 1, 2011, Pages

  Chandra, Nagasuma ^a   Bhagavat, Raghu ^a   Sharma, Eshita ^a   Sreekanthreddy, P ^a   Somasundaram, Kumaravel ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84858776948     PISSN: None     EISSN: 20439113     Source Type: Journal    
DOI: 10.1186/2043-9113-1-5     Document Type: Article

References (22)

1. Furnari FB, Fenton T, Bachoo RM, Mukasa A, Stommel JM, Stegh A, Hahn WC, Ligon KL, Louis DN, Brennan C, et al. Malignant astrocytic glioma: genetics, biology, and paths to treatment. Genes Dev 2007, 21(21):2683-2710. 10.1101/gad.1596707, 17974913.
2. Yang H, Yang T, Baur JA, Perez E, Matsui T, Carmona JJ, Lamming DW, Souza-Pinto NC, Bohr VA, Rosenzweig A, et al. Nutrient-sensitive mitochondrial NAD+ levels dictate cell survival. Cell 2007, 130(6):1095-1107. 10.1016/j.cell.2007.07.035, 17889652.
3. Magni G, Amici A, Emanuelli M, Orsomando G, Raffaelli N, Ruggieri S. Enzymology of NAD+ homeostasis in man. Cellular and Molecular Life Sciences 2004, 61(1):19-34. 10.1007/s00018-003-3161-1, 14704851.
4. Jia SH, Li Y, Parodo J, Kapus A, Fan L, Rotstein OD, Marshall JC. Pre-B cell colony-enhancing factor inhibits neutrophil apoptosis in experimental inflammation and clinical sepsis. J Clin Invest 2004, 113(9):1318-1327. 398427, 15124023.
5. Reddy PS, Umesh S, Thota B, Tandon A, Pandey P, Hegde AS, Balasubramaniam A, Chandramouli BA, Santosh V, Rao MR, et al. PBEF1/NAmPRTase/Visfatin: a potential malignant astrocytoma/glioblastoma serum marker with prognostic value. Cancer Biol Ther 2008, 7(5):663-668. 10.4161/cbt.7.5.5663, 18728403.
6. Khan JA, Tao X, Tong L. Molecular basis for the inhibition of human NMPRTase, a novel target for anticancer agents. Nat Struct Mol Biol 2006, 13(7):582-588. 10.1038/nsmb1105, 16783377.
7. Hasmann M, Schemainda I. FK866, a highly specific noncompetitive inhibitor of nicotinamide phosphoribosyltransferase, represents a novel mechanism for induction of tumor cell apoptosis. Cancer Res 2003, 63(21):7436-7442.
8. Ewing TJA, Kuntz ID. Critical evaluation of search algorithms for automated molecular docking and database screening. Journal of Computational Chemistry 1997, 18(9):1175-1189.
9. Ruben A, Maxim T, Dmitry K. ICM - A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation. Journal of Computational Chemistry 1994, 15(5):488-506.
10. Garrett MM, David SG, Robert SH, Ruth H, William EH, Richard KB, Arthur JO. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. Journal of Computational Chemistry 1998, 19(14):1639-1662.
11. Khodade P, Prabhu R, Chandra N, Raha S, Govindarajan R. Parallel implementation of AutoDock. Journal of Applied Crystallography 2007, 40(3):598-599.
12. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 2001, 46(1-3):3-26. 10.1016/S0169-409X(00)00129-0, 11259830.
13. LIGPREP. , http://www.schrodinger.com/ProductDescription.php?mID=6&&sID=7&cID=0
14. Bernstein FC, Koetzle TF, Williams GJ, Meyer EF, Brice MD, Rodgers JR, Kennard O, Shimanouchi T, Tasumi M. The Protein Data Bank: a computer-based archival file for macromolecular structures. J Mol Biol 1977, 112(3):535-542. 10.1016/S0022-2836(77)80200-3, 875032.
15. Singh UC, Peter AK. An approach to computing electrostatic charges for molecules. Journal of Computational Chemistry 1984, 5(2):129-145.
16. Sobolev V, Sorokine A, Prilusky J, Abola EE, Edelman M. Automated analysis of interatomic contacts in proteins. Bioinformatics 1999, 15(4):327-332. 10.1093/bioinformatics/15.4.327, 10320401.
17. Brunger AT, Adams PD, Clore GM, DeLano WL, Gros P, Grosse-Kunstleve RW, Jiang JS, Kuszewski J, Nilges M, Pannu NS, et al. Crystallography & NMR system: A new software suite for macromolecular structure determination. Acta Crystallogr D Biol Crystallogr 1998, 54(Pt 5):905-921. 10.1107/S0907444998003254, 9757107.
18. Kleywegt GJZJ, Kjeldgaard M, Jones TA. Around O. International Tables for Crystallography, Vol F Crystallography of Biological Macromolecules 2001, 353-356. Dordrecht: Kluwer Academic Publishers, The Netherlands, Rossmann MG AE, 366 367.
19. The PyMOL Molecular Graphics System. , http://www.pymol.org
20. Das S, El-Deiry WS, Somasundaram K. Efficient growth inhibition of HPV 16 E6-expressing cells by an adenovirus-expressing p53 homologue p73beta. Oncogene 2003, 22(52):8394-8402. 10.1038/sj.onc.1206908, 14627980.
21. Yeturu K, Chandra N. PocketMatch: a new algorithm to compare binding sites in protein structures. BMC Bioinformatics 2008, 9:543. 10.1186/1471-2105-9-543, 2639437, 19091072.
22. Colombano G, Travelli C, Galli U, Caldarelli A, Chini MG, Canonico PL, Sorba G, Bifulco G, Tron GC, Genazzani AA. A novel potent nicotinamide phosphoribosyltransferase inhibitor synthesized via click chemistry. J Med Chem 2010, 53(2):616-623. 10.1021/jm9010669, 19961183.