Advanced SearchSearch Tips
Pharmacophore Development for Anti-Lung Cancer Drugs
facebook(new window)  Pirnt(new window) E-mail(new window) Excel Download
 Title & Authors
Pharmacophore Development for Anti-Lung Cancer Drugs
Haseeb, Muhammad; Hussain, Shahid;
  PDF(new window)
Lung cancer is one particular type of cancer that is deadly and relatively common than any other. Treatment is with chemotherapy, radiation therapy and surgery depending on the type and stage of the disease. Focusing on drugs used for chemotherapy and their associated side effects, there is a need to design and develop new anti-lung cancer drugs with minimal side effects and improved efficacy. The pharmacophore model appears to be a very helpful tool serving in the designing and development of new lead compounds. In this paper, pharmacophore analysis of 10 novel anti-lung cancer compounds was validated for the first time. Using LigandScout the pharmacophore features were predicted and 3D pharmacophores were extracted via VMD software. A training set data was collected from literature and the proposed model was applied to the training set whereby validating and verifying similar activity as that of the most active compounds was achieved. Therefore pharmacophore develoipment could be recommended for further studies.
Pharmacophore;anti-lung cancer drugs;computer aided drug designing;ligand scout;VMD;
 Cited by
Ahmed K, Al-Emran A, Jesmin T, et al (2013). Early detection of lung cancer risk using data mining. Asian Pac J Cancer Prev, 14, 595-8. crossref(new window)

Bose P, Perkins EB, Honeycut C, et al (2012). Cancer Chemother Pharmacol, 69, 1657-67. crossref(new window)

Chen YT, Feng B, Chen LB, (2012). Update of research on drug resistance in small cell lung cancer chemotherapy. Asian Pacific J Cancer Prev, 13, 3577-81. crossref(new window)

Curran WJ, Paulus R, Langer CJ, et al (2011). Sequential vs. concurrent chemoradiation for stage III non-small cell lung cancer, randomized phase III trial RTOG 9410. J Natl Cancer Inst, 103, 1452-60. crossref(new window)

Ginsberg RJ, Vokes EE, Raben A (1997). Non-small cell lung cancer. In, DeVita VT, Hellman S, Rosenberg SA, eds. Cancer, principles and practice of oncology. 4th ed. Philadelphia, PA, Lippincott-Raven, 858-910.

He YQ, Zhou B, Shi SQ, et al (2012). Genetic Variation in PDCD6 and Susceptibility to Lung Cancer. Asian Pac J Cancer Prev, 13, 4689-93. crossref(new window)

Helsing M, Bergman B, Thaning L, et al (1998). Quality of life and survival in patients with advanced non-small cell lung cancer receiving supportive care plus chemotherapy with carboplatin and etoposide or supportive care only. A multicentre randomised phase III trial. Joint Lung Cancer Study Group. Eur J Cancer, 34, 1036-44. crossref(new window)

Huang, Xiaoqin, Zheng, et al (2012). Microscopic binding of m5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation journal of physical chemistry b, 116, 532-41. crossref(new window)

Kapetanoic IM (2008). Computer aided drug discovery and development, insilico-chemico-biological approach. Chem Biol Interact, 171, 165-76 crossref(new window)

Lynch TJ, Bell DW, Sordella R (2004). Activating mutations in the epidermal growth factor receptor underlying responsiveness of non-small-cell lung cancer to gefitinib. N Engl J Med, 350, 2129-39. crossref(new window)

Mendelsohn J, Baselga J (2002). The EGF receptor family as targets for cancer therapy. Oncogene, 19, 6550-65.

Molina JR, Yang P, Cassivi SD, et al (2008). Non-small cell lung cancer, epidemiology, risk factors, treatment, and survivorship. Mayo Clin Proc, 83, 584-94. crossref(new window)

NSCLC Meta-Analyses Collaborative Group (2008). Chemotherapy in addition to supportive care improves survival in advanced non-small-cell lung cancer, a systematic review and meta-analysis of individual patient data from 16 randomized controlled trials. J Clin Oncol, 26, 4617-25. crossref(new window)

Rapp E, Pater JL, Willan A, et al (1988). Chemotherapy can prolong survival in patients with advanced non-small-cell lung cancer-report of a Canadian multicenter randomized trial. J Clin Oncol, 6, 633-41. crossref(new window)

Shukla RK, Tilak AR, Kumar C, et al (2013). Associations of CYP1A1, GSTM1 and GSTT1 polymorphisms with lung cancer susceptibility in a Northern Indian Population. Asian Pac J Cancer Prev, 14, 3345-9 crossref(new window)

Sun JY, Shi L, Gao XD, et al (2012). Physical activity and risk of lung cancer, a meta-analysis of prospective cohort studies. Asian Pac J Cancer Prev, 13, 3143-7. crossref(new window)

Thomas L, Doyle LA, Edelman MJ (2005). Lung cancer in women, emerging differences in epidemiology, biology, and therapy. Chest, 128, 370-381. crossref(new window)

Wolber, G, Langer, T (2005). 3-D Pharmacophores derived from protein-bound ligands and their use as virtual screening filters. J Chem Inf Model, 45, 160-9. crossref(new window)