Abstract
The QSAR models were developed using multiple linear regression (MLR) and partial least squares (PLS) for 41 2-phenylbenzofurans derivatives against leishmania donovani. The MLR and PLS generated comparable models with good predictive ability and all other statistical values, r, r2, r2 cv, r2 (test set) and F and S values, were 0.86, 0.74, 0.72, 0.70 and 38.56, 0.28, respectively, for MLR and r2 cv, r2 (test set) and statistical significance value were 0.71, 0.70 and 0.99, respectively, for PLS, were satisfactory. The results indicate the importance of dipole moment and Kier Chi in determining the activity of 2-phenylbenzofurans as potent antiprotozoal agents.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
S.K. Bhattacharya, S. Dipika and K. Juntra; Indian J. Med. Res. 123 (2006) 353.
R.S. Barnetson, R.S. Ridley and H.W. Wheate; Trans R. Soc. Trop. Med. Hyg. 72 (1978) 516.
H.W. Murray; Int. J. Infect. Dis. 4 (2004) 158.
Mcgregor; Lancet. 351 (1998) 575.
H. Sangraula, K.K. Sharma, S. Rijal and S. Dwivedi; J. Assoc. Physicians India. 51 (2003) 686.
N. Singh; Indian J. Med. Res. 123 (2006) 411.
P.B. Carvalho, M.A.G. Arribas and E.I. Ferreira; Braz. J. Pharm. Sci. 36 (2000) 69.
S.A. Bakunov, S.M. Bakunova, T. Wenzler and T. Barszcz; J. Med. Chem. 51 (2008) 6927.
S.K. Paliwal, M. Pal and A.A. Siddiqui; Med. Chem. Res. 19 (2010) 475.
Golbraikh, M. Shen, Z. Xiao, and Y.D. Xiao; J. Computer-Aided Molecular Design. 17 (2003) 241.
Y. Yu, R. Su, L. Wang and W. Qi; Med. Chem. Res. DOI 10.1007/s00044–009-9266–9 (2009)
R.Y. Prasad, R.P. Kumar, J.D. Smiles and A.P. Babu; Arkivoc. 11 (2008) 266.
R.D. Cramer; Drug Discov Des. 1 (1993) 269.
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 2012 Springer-Verlag Berlin Heidelberg
About this chapter
Cite this chapter
Agarwal, A., Mishra, R., Paliwal, S. (2012). A QSAR Study Investigating the Potential Anti-Leishmanial Activity of Cationic 2-Phenylbenzofurans. In: Khemani, L., Srivastava, M., Srivastava, S. (eds) Chemistry of Phytopotentials: Health, Energy and Environmental Perspectives. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-23394-4_30
Download citation
DOI: https://doi.org/10.1007/978-3-642-23394-4_30
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-23393-7
Online ISBN: 978-3-642-23394-4
eBook Packages: Earth and Environmental ScienceEarth and Environmental Science (R0)