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QSAR Studies of Biological Activity with Phenylpropyl Aldehyde Thiosemicarbazone Compounds
Corresponding Author(s) : Hui-Min Bi
Asian Journal of Chemistry,
Vol. 26 No. 18 (2014): Vol 26 Issue 18
Abstract
We have selected 15 phenylpropyl aldehyde thiosemicarbazone compounds to study the structure-activity relationship. The theoretical parameters were calculated by HF method in 6-31g* level, The study finds that, there are certain relevance between the antibacterial activity of the compounds and the HOMO and LUMO. The mechanism may be that, the compounds receive electrons from the receptors when the compounds mixes with the receptors. Then we established mathematical correlation between the properties and bioactivity of these compounds. It could give some clues for further molecular designing to future workers.
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- R.A. Finch, M.C. Liu, S.P. Grill, W.C. Rose, R. Loomis, K.M. Vasquez, Y.-C. Cheng and A.C. Sartorelli, Biochem. Pharmacol., 59, 983 (2000); doi:10.1016/S0006-2952(99)00419-0.
- A. Walcourt, M. Loyevsky, D.B. Lovejoy, V.R. Gordeuk and D.R. Richardson, Int. J. Biochem. Cell Biol., 36, 401 (2004); doi:10.1016/S1357-2725(03)00248-6.
- J.R. Chopra, U.U.S.A. Divya and S.K. Gupta, Asian J. Chem., 12, 1277 (2000).
- J. Shim, J.N. Rama and F.N.A. Mohammad, Asian J. Chem., 25, 5838 (2013); doi:10.14233/ajchem.2013.OH105.
- C.N. Hancock, L.H. Stockwin, B. Han, R.D. Divelbiss, J.H. Jun, S.V. Malhotra, M.G. Hollingshead and D.L. Newton, Free Radic. Biol. Med., 50, 110 (2011); doi:10.1016/j.freeradbiomed.2010.10.696.
- S.X. Wang, C. Liu and J. Duan, Asian J. Chem., 23, 4451 (2011).
- D.K. Saha, B.K. Das, S. Chandra and B.K. Datta, J. Pharm. Res. Opin., 2, 125 (2012).
- P. Chellan, S. Nasser, L. Vivas, K. Chibale and G.S. Smith, J. Organomet. Chem., 695, 2225 (2010); doi:10.1016/j.jorganchem.2010.06.010.
- Y. Xu, Z. Wang, Y. Ling, W. Dong, J. Xing, P. Liang and X. Yang, Chinese J. Org. Chem., 32, 1278 (2012); doi:10.6023/cjoc1111181.
- T.B. Wei, Y.L. Leng, Y.C. Wang, J.H. Zhang and Y.M. Zhang, Chinese J. Org. Chem., 29, 216 (2009).
- G.F. Yang, H.Y. Liu, H.Z. Yang and X.F. Yang, Acta Chim. Sin., 56, 729 (1998).
- D.B. Zhang, Y.H. Ren, D.W. Fu, B. Yan, J.-R. Song and X.Q. Lu, Acta Chim. Sin., 66, 2409 (2008).
References
R.A. Finch, M.C. Liu, S.P. Grill, W.C. Rose, R. Loomis, K.M. Vasquez, Y.-C. Cheng and A.C. Sartorelli, Biochem. Pharmacol., 59, 983 (2000); doi:10.1016/S0006-2952(99)00419-0.
A. Walcourt, M. Loyevsky, D.B. Lovejoy, V.R. Gordeuk and D.R. Richardson, Int. J. Biochem. Cell Biol., 36, 401 (2004); doi:10.1016/S1357-2725(03)00248-6.
J.R. Chopra, U.U.S.A. Divya and S.K. Gupta, Asian J. Chem., 12, 1277 (2000).
J. Shim, J.N. Rama and F.N.A. Mohammad, Asian J. Chem., 25, 5838 (2013); doi:10.14233/ajchem.2013.OH105.
C.N. Hancock, L.H. Stockwin, B. Han, R.D. Divelbiss, J.H. Jun, S.V. Malhotra, M.G. Hollingshead and D.L. Newton, Free Radic. Biol. Med., 50, 110 (2011); doi:10.1016/j.freeradbiomed.2010.10.696.
S.X. Wang, C. Liu and J. Duan, Asian J. Chem., 23, 4451 (2011).
D.K. Saha, B.K. Das, S. Chandra and B.K. Datta, J. Pharm. Res. Opin., 2, 125 (2012).
P. Chellan, S. Nasser, L. Vivas, K. Chibale and G.S. Smith, J. Organomet. Chem., 695, 2225 (2010); doi:10.1016/j.jorganchem.2010.06.010.
Y. Xu, Z. Wang, Y. Ling, W. Dong, J. Xing, P. Liang and X. Yang, Chinese J. Org. Chem., 32, 1278 (2012); doi:10.6023/cjoc1111181.
T.B. Wei, Y.L. Leng, Y.C. Wang, J.H. Zhang and Y.M. Zhang, Chinese J. Org. Chem., 29, 216 (2009).
G.F. Yang, H.Y. Liu, H.Z. Yang and X.F. Yang, Acta Chim. Sin., 56, 729 (1998).
D.B. Zhang, Y.H. Ren, D.W. Fu, B. Yan, J.-R. Song and X.Q. Lu, Acta Chim. Sin., 66, 2409 (2008).