Computational molecular docking studies on anticancer drugs

Asian Pacific Journal of Tropical Disease

Volumn 2, Issue SUPPL2, 2012, Pages

  Baskaran, C ^a   Ramachandran, M ^b  

^a PRESIDENCY COLLEGE   (India)

^b VOORHEES COLLEGE   (India)

Author keywords

Anaplastic lymphoma kinase (ALK); Chemsketch; Docking; Lung cancer

Indexed keywords

ANAPLASTIC LYMPHOMA KINASE; ANTINEOPLASTIC AGENT; CRIZOTINIB; SUNITINIB; TANDUTINIB;

ARTICLE; CANCER GROWTH; CELL PROLIFERATION; DRUG ABSORPTION; DRUG DISTRIBUTION; DRUG EFFECT; DRUG EXCRETION; DRUG METABOLISM; DRUG PROTEIN BINDING; DRUG STRUCTURE; DRUG TARGETING; ENERGY; HUMAN; HYDROGEN BOND; LIGAND BINDING; LUNG CARCINOGENESIS; LUNG NON SMALL CELL CANCER; MOLECULAR DOCKING; MOLECULAR WEIGHT; PRIORITY JOURNAL;

EID: 84871795656     PISSN: 22221808     EISSN: None     Source Type: Journal    
DOI: 10.1016/S2222-1808(12)60254-0     Document Type: Article

References (20)

1. WHO "Cancer" World Health Organization (February 2006) Retrieved 2007-06-25. http://www.who.int/mediacentre/factsheets/fs297/en/.
2. Minna JD, Schiller JH Harrison's Principles of Internal Medicine 2008, 551-562. McGraw-Hill, ISBN 0-07-146633-9. 17th ed.
3. Hirsch FR, Varella-garcia M, Bunn PA, et al. Epidermal growth factor receptor in non-small - cell lung carcinomas:correlation between gene copy number and protein expression and impact on prognosis. J Clin Oncol 2003, 213798-213807. [PubMed].
4. Kutok JL, Aster JC Molecular biology of anaplastic lymphoma kinase-positive anaplastic large-cell lymphoma. J Clin Oncol 2002, 20:3691-3702.
5. George RE, Sanda T, Hanna M, et al. Activating mutations in ALK provide a therapeutic target in neuroblastoma. Nature 2008, 455:975-978.
6. Mossé YP, Laudenslager M, Longo L, et al. Identification of ALK as a major familial neuroblastoma predisposition gene. Nature 2008, 455:930-935.
7. Pulford K, Lamant L, Espinos E, et al. The emerging normal and disease-related roles of anaplastic lymphoma kinase. Cell Mol Life Sci 2004, 61:2939-2953.
8. Soda M, Choi YL, Enomoto M, et al. Identification of the transforming EML4-ALK fusion gene in non-small-cell lung cancer. Nature 2007, 448:561-566.
9. Choi YL, Takeuchi K, Soda M, et al. Identification of novel isoforms of the EML4-ALK transforming gene in nonsmall cell lung cancer. Cancer Res 2008, 68:4971-4976.
10. Takeuchi K, Choi YL, Soda M, et al. Multiplex reverse transcription-PCR screening for EML4-ALK fusion transcripts. Clin Cancer Res 2008, 14:6618-6624.
11. McDermott U, Iafrate AJ, Gray NS, et al. Genomic alterations of anaplastic lymphoma kinase may sensitize tumors to anaplastic lymphoma kinase inhibitors. Cancer Res 2008, 68:3389-3395.
12. Christensen JG, Zou HY, Arango ME, et al. Cytoreductive antitumor activity of PF-2341066, a novel inhibitor of anaplastic lymphoma kinase and c-Met, in experimental models of anaplastic large-cell lymphoma. Mol Cancer Ther 2007, 6:3314-3322.
13. Leite TB, Gomes D, Miteva MA, Chomilier J, Villoutreix BO, et al. Frog:a Free Online drug 3D conformation generator. Nucleic Acids Res 2007, 35.
14. David SW, Knox C, Guo AC, Shrivastava S, Hassanali M Drug Bank: A comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res 2006, 34.
15. Oxfords University Press The Protein Data Bank. Nucleic Acids Res 2000, 28:235-242.
16. Thompson MA Molecular docking using ArgusLab, an effi cient shapebased search algorithm and the AScore scoring function ACS meeting, Philadelphia, (2004) 172, CINF 42, PA.
17. Horton RM, Stone RJS An introduction to molecular visualisation: seeing in stereo with RasMol. Biotechniques 1997, 660.
18. Srivastava V, Kumar A, Mishra BN, Siddiqi MI Molecular docking studies on DMDP derivatives as human DHFR inhibitors. Bioinformation 2008, 4:180-188.
19. Selick HE, Beresford AP, Tarbit MH "The emerging importance of predictive ADME simulation in drug discovery" DrugDiscovToday 2002, 7:109-116.
20. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings" AdvancedDrug Delivery Reviews 1997, 23:3-25.