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QSAR Studies of Di/Triorganotin(IV) Complexes of Schiff Bases Derived from 2-Benzoyl Pyridine and Substituted Benzoic Acid Hydrazides
Corresponding Author(s) : Sonika Asija
Asian Journal of Chemistry,
Vol. 30 No. 12 (2018): Vol 30 Issue 12
Abstract
Quantitative structure activity relationship (QSAR) analysis for the in vitro antimicrobial activity and structural descriptors coding for various molecular properties of di/triorganotin(IV) complexes of Schiff bases derived from 2-benzoyl pyridine and 2- and 4-substituted benzoic acid hydrazides and their di/triorganotin(IV) complexes have been studied. The QSAR results divulges the role of molecular connectivity indices, kappa shape indices, energy of lowest unoccupied molecular orbital and dipole moment in control and moderation of antibacterial and antifungal activity of the synthesized complexes. The observed and predicted antibacterial activity close to each other as they have got low residual values which supports the fact that that QSAR model is valid one and reliable for prediction of antibacterial activity.
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- P. Khatkar, S. Asija and N. Singh, J. Serb. Chem. Soc., 82, 13 (2017); https://doi.org/10.2298/JSC160429089K.
- A. Ahlawat, V. Singh and S. Asija, Chem. Pap., 71, 2195 (2017); https://doi.org/10.1007/s11696-017-0213-9.
- P. Khatkar and S. Asija, Phosphorus Sulfur Silicon Relat. Elem., 192, 446 (2017); https://doi.org/10.1080/10426507.2016.1248762.
- A. Ahlawat, P.Khatkar, V. Singh, S. Asija, Res. Chem. Intermed., 44, 4415 (2018); https://doi.org/10.1007/s11164-018-3395-z.
- R. Malhotra, A. Ravesh and V. Singh, Phosphorus Sulfur Silicon Rel. Elem., 192, 73 (2017); https://doi.org/10.1080/10426507.2016.1225054.
- N. Sonika and R. Malhotra, Phosphorus Sulfur Silicon Rel. Elem., 186, 1449 (2011); https://doi.org/10.1080/10426507.2010.517583.
- S. Asijaa, N. Malhotra and R. Malhotra, Phosphorus Sulfur Silicon Rel. Elem., 187, 1510 (2012); https://doi.org/10.1080/10426507.2012.692129.
- J. Devi, S. Devi and A. Kumar, Monatsh. Chem., 147, 2195 (2016); https://doi.org/10.1007/s00706-016-1720-z.
- C. Hansch and T. Fujita, J. Am. Chem. Soc., 86, 1616 (1964); https://doi.org/10.1021/ja01062a035.
- C. Hansch, A. Leo, S.H. Unger, K.H. Kim, D. Nikaitani and E.J. Lien, J. Med. Chem., 16, 1207 (1973); https://doi.org/10.1021/jm00269a003.
- L.B. Kier and L.H. Hall, Molecular Connectivity in Chemistry and Drug Research, Academic Press: New York (1976).
- M. Randic, J. Am. Chem. Soc., 97, 6609 (1975); https://doi.org/10.1021/ja00856a001.
- A.T. Balaban, Chem. Phys. Lett., 89, 399 (1982); https://doi.org/10.1016/0009-2614(82)80009-2.
- H. Wiener, J. Am. Chem. Soc., 69, 17 (1947); https://doi.org/10.1021/ja01193a005.
- M. Randic, Croat. Chem. Acta, 66, 289 (1993).
- V. Lather and A.K. Madan, Bioorg. Med. Chem., 13, 1599 (2005); https://doi.org/10.1016/j.bmc.2004.12.014.
- A. Golbraikh and A. Tropsha, J. Mol. Graph. Model., 20, 269 (2002); https://doi.org/10.1016/S1093-3263(01)00123-1.
- A. Kumar, B. Narasimhan and D. Kumar, Bioorg. Med. Chem., 15, 4113 (2007); https://doi.org/10.1016/j.bmc.2007.03.074.
- V. Judge, B. Narasimhan and M. Ahuja, Med. Chem. Res., 21, 1363 (2012); https://doi.org/10.1007/s00044-011-9645-x.
- L.B. Kier and L.H. Hall, eds.: J. Devillers, A.T. Balaban, Topological Indices and Related Descriptors in QSAR and QSPR, Gordon and Breach Science Publishers: Amsterdam pp. 455 (1999).
- M. Karelson, V.S. Lobanov and A.R. Katritzky, Chem. Rev., 96, 1027 (1996); https://doi.org/10.1021/cr950202r.
References
P. Khatkar, S. Asija and N. Singh, J. Serb. Chem. Soc., 82, 13 (2017); https://doi.org/10.2298/JSC160429089K.
A. Ahlawat, V. Singh and S. Asija, Chem. Pap., 71, 2195 (2017); https://doi.org/10.1007/s11696-017-0213-9.
P. Khatkar and S. Asija, Phosphorus Sulfur Silicon Relat. Elem., 192, 446 (2017); https://doi.org/10.1080/10426507.2016.1248762.
A. Ahlawat, P.Khatkar, V. Singh, S. Asija, Res. Chem. Intermed., 44, 4415 (2018); https://doi.org/10.1007/s11164-018-3395-z.
R. Malhotra, A. Ravesh and V. Singh, Phosphorus Sulfur Silicon Rel. Elem., 192, 73 (2017); https://doi.org/10.1080/10426507.2016.1225054.
N. Sonika and R. Malhotra, Phosphorus Sulfur Silicon Rel. Elem., 186, 1449 (2011); https://doi.org/10.1080/10426507.2010.517583.
S. Asijaa, N. Malhotra and R. Malhotra, Phosphorus Sulfur Silicon Rel. Elem., 187, 1510 (2012); https://doi.org/10.1080/10426507.2012.692129.
J. Devi, S. Devi and A. Kumar, Monatsh. Chem., 147, 2195 (2016); https://doi.org/10.1007/s00706-016-1720-z.
C. Hansch and T. Fujita, J. Am. Chem. Soc., 86, 1616 (1964); https://doi.org/10.1021/ja01062a035.
C. Hansch, A. Leo, S.H. Unger, K.H. Kim, D. Nikaitani and E.J. Lien, J. Med. Chem., 16, 1207 (1973); https://doi.org/10.1021/jm00269a003.
L.B. Kier and L.H. Hall, Molecular Connectivity in Chemistry and Drug Research, Academic Press: New York (1976).
M. Randic, J. Am. Chem. Soc., 97, 6609 (1975); https://doi.org/10.1021/ja00856a001.
A.T. Balaban, Chem. Phys. Lett., 89, 399 (1982); https://doi.org/10.1016/0009-2614(82)80009-2.
H. Wiener, J. Am. Chem. Soc., 69, 17 (1947); https://doi.org/10.1021/ja01193a005.
M. Randic, Croat. Chem. Acta, 66, 289 (1993).
V. Lather and A.K. Madan, Bioorg. Med. Chem., 13, 1599 (2005); https://doi.org/10.1016/j.bmc.2004.12.014.
A. Golbraikh and A. Tropsha, J. Mol. Graph. Model., 20, 269 (2002); https://doi.org/10.1016/S1093-3263(01)00123-1.
A. Kumar, B. Narasimhan and D. Kumar, Bioorg. Med. Chem., 15, 4113 (2007); https://doi.org/10.1016/j.bmc.2007.03.074.
V. Judge, B. Narasimhan and M. Ahuja, Med. Chem. Res., 21, 1363 (2012); https://doi.org/10.1007/s00044-011-9645-x.
L.B. Kier and L.H. Hall, eds.: J. Devillers, A.T. Balaban, Topological Indices and Related Descriptors in QSAR and QSPR, Gordon and Breach Science Publishers: Amsterdam pp. 455 (1999).
M. Karelson, V.S. Lobanov and A.R. Katritzky, Chem. Rev., 96, 1027 (1996); https://doi.org/10.1021/cr950202r.