Construction of 3D-QSAR models to predict antiamoebic activities of pyrazoline and dioxazoles derivatives

Journal of Materials and Environmental Science

Volumn 2, Issue 1, 2011, Pages 61-70

  Mbarki, S ^a   Dguigui, K ^a   El Hallaoui, M ^a  

^a SIDI MOHAMED BEN ABDELLAH UNIVERSITY   (Morocco)

Author keywords

3D QSAR model; ANN; Antiamoebic activity; LOO; MLR

Indexed keywords

EID: 84874975254     PISSN: 20282508     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (24)

1. Samuel, L., Stanley, J., Sharon, L. and Reed, Initial. Microbes and microbial toxin: paradigms for microbialmucosal. Interactions VI. Entamoeba histolytica: parasite- host interactions. Am. J. Phy. Gastrointest. Liver Physiol. 2806 (2001) 1049.
2. WHO. Life in the 21st Century: a vision for all. The World Health Report 1998. World Health Organization, Geneva, Switzerland. (1998).
3. Haque, R., Mondal, D., Duggal, P., Kabir,M., Roy, S., Farr, B., Sack, B., William, A., Petri, Jr., Entamoeba histolytica infection in children and protection from subsequent amebiasis. Infection & Immunity. American Society for Microbiology. 74 (2006) 904.
4. Bansal, D., Sehgal, R., Chawla, Y., Chander Mahajan, R., Malla, N., In vitro activity of antiamoebic drugs against clinical isolates of Entamoeba histolytica and Entamoeba dispar. Annals of Clinical Microbiology and Antimicrobials. Annals of Clinical Microbiology and Antimicrobials. 3 (2004) 27.
5. Bhat, AR., Athar, F., Azam, A., New derivatives of 3,5-substituted-1,4,2-dioxazoles: Synthesis and activity against Entamoeba histolytica. Eur J Med Chem.. 44 (2009) 926.
6. Abid, M., Bhat, AR., Athar, F., Azam, A., Synthesis, spectral studies and antiamoebic activity of new 1-N-substituted thiocarbamoyl-3-phenyl-2-pyrazolines. Eur J Med Chem. 31 (2007) 426.
7. Adhikari, N., Maiti, MK., tarun, J., Exploring structural requirements of 1-N-substituted thiocarbamoyl-3-phenyl-2-pyrazolines as antiamoebic agents using comparative QSAR modelling. Bioorganic& medicinal chemistry letters. 20 (2010) 4021.
8. Trinajstic, N., Chemical Graph Theory. (1992) 225-273.
9. Bazoui, H., Zahouily, M., Boulaajaj, S., Sebti, S., Zakarya, D., SAR QSAR Environ. Res. 13 (2002) 567
10. Bazoui, H., Zahouily, M., Sebti, S., Boulaajaj, S., Zakarya, D.J. Mol. Model. 8(2002)1-7
11. Agrawala, V. K., Singha, J., Mishraa, K. C., Khadikar, P. V., Jaliwalac Y. A. Arkivoc (2006) 162.
12. Kubinyi, H., QSAR:Hansch analysis and related approaches. In: Mannhold R, Krogsgarrd Larsen P, Timmerman H (eds) Methods and principles in medicinal chemistry. Wiley, Weinheim; 1 (1993).
13. Kubinyi, H., (ed) 3D QSAR in drug design: theory, methods and applications. ESCOM, Leiden (1993).
14. Todeschini, R., Consonni, V., Handbook of Molecular Descriptors; Wiley-VCH: (2000) Germany.
15. Karelson, M., Molecular Descriptors in QSAR/QSPR; John Wiley & Sons: New York, (2000).
16. Diudea, M. V., Ed. QSPR/QSAR Studies by Molecular Descriptors; Nova Science: Huntington, NY, (2001).
17. Balaban, A. T., Ed. From Chemical Graphs to Three-Dimensional Geometry; (1997). New York.
18. Balaban, A. SAR QSAR Environ. Res. 8 (1998) 1.
19. So, S., Richards, G. J., Med. Chem. 35 (1992) 3207.
20. Andrea, T.A., Kalayeh, H.J., Med. Chem. 34 (1991) 2824.
21. Ellhalaoui, M., Modélisatrice moléculaire et étude QSAR d'antagonistes non compétitifs du récepteur NMDA par les méthodes statistiques et le réseau de neurones. Thesis de Doctorat, Fes, Morocco (2002) 106.
22. Efron, B. J. Am. Stat. Assoc. 78 (1983) 316.
23. Efroymson, M.A. Multiple regression analysis. In Mathematical Methods for Digital Computers; Ralston, A.;Wilf, H.S., Eds.;Wiley: NewYork (1960).
24. Osten, D.W. J. Chemom. 2 (1998) 39.