Issue

Vol. 30 No. 10 (2018): Vol 30 Issue 10, 2018

Copyright (c) 2018 AJC

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

QSAR Studies on Microbicidal Activity of Disubstituted 1,2,3-Triazoles having Ester Linkages

https://doi.org/10.14233/ajchem.2018.21489
C.P. Kaushik
Department of Chemistry, Guru Jambheshwar University of Science & Technology, Hisar-125 001, India
Ashima Pahwa
Department of Chemistry, Guru Jambheshwar University of Science & Technology, Hisar-125 001, India
Ashwani Kumar
Department of Pharmaceutical Sciences, Guru Jambheshwar University of Science & Technology, Hisar-125 001, India
Raj Luxmi
Department of Chemistry, Guru Jambheshwar University of Science & Technology, Hisar-125 001, India

Corresponding Author(s) : C.P. Kaushik

kaushikcp@gmail.com

Asian Journal of Chemistry, Vol. 30 No. 10 (2018): Vol 30 Issue 10, 2018

Abstract

A series of 1,4-disubstituted 1,2,3-triazoles (1a-1t) with two ester linkages was examined for in vitro antimicrobial potential against Staphylococcus aureus, Escherichia coli, Klebsiellae pneumoniae, Enterobacter aerogenes, Candida albicans and Aspergillus niger. Antimicrobial screening data indicated that synthesized triazoles displayed considerable microbicidal potency. QSAR studies of synthesized compounds were performed by multiple linear regression (MLR) analysis, statistically significant models were developed to explore biological activity trend on structural basis.

Keywords

Antibacterial activity Antifungal activity 1,2,3-Triazoles QSAR
Kaushik, C., Pahwa, A., Kumar, A., & Luxmi, R. (2018). QSAR Studies on Microbicidal Activity of Disubstituted 1,2,3-Triazoles having Ester Linkages. Asian Journal of Chemistry, 30(10), 2337–2342. https://doi.org/10.14233/ajchem.2018.21489
Download Citation
Endnote/Zotero/Mendeley (RIS)
BibTeX
References
  1. C.P. Kaushik, A. Pahwa, A. Kumar, D. Singh and K. Kumar, Synth. Commun., 47, 1485 (2017); https://doi.org/10.1080/00397911.2017.1333124.
  2. N.G. Aher, V.S. Pore, N.N. Mishra, A. Kumar, P.K. Shukla, A. Sharma and M.K. Bhat, Bioorg. Med. Chem. Lett., 19, 759 (2009); https://doi.org/10.1016/j.bmcl.2008.12.026.
  3. M. Damodiran, D. Muralidharan and P.T. Perumal, Bioorg. Med. Chem. Lett., 19, 3611 (2009); https://doi.org/10.1016/j.bmcl.2009.04.131.
  4. N. Kuntala, J.R. Telu, V. Banothu, S.B. Nallapati, J.S. Anireddy and S. Pal, Med. Chem. Commun., 6, 1612 (2015); https://doi.org/10.1039/C5MD00224A.
  5. C.P. Kaushik, A. Pahwa, R. Thakur and P. Kaur, Synth. Commun., 47, 368 (2017); https://doi.org/10.1080/00397911.2016.1265983.
  6. C.P. Kaushik, K. Kumar, D. Singh, S.K. Singh, D.K. Jindal and R. Luxmi, Synth. Commun., 45, 1977 (2015); https://doi.org/10.1080/00397911.2015.1056796.
  7. M.J. Giffin, H. Heaslet, A. Brik, Y.C. Lin, G. Cauvi, C.H. Wong, D.E. McRee, J.H. Elder, C.D. Stout and B.E. Torbett, J. Med. Chem., 51, 6263 (2008); https://doi.org/10.1021/jm800149m.
  8. B.L. Wilkinson, L.F. Bornaghi, T.A. Houston, A. Innocenti, D. Vullo, C.T. Supuran and S.A. Poulsen, J. Med. Chem., 50, 1651 (2007); https://doi.org/10.1021/jm061320h.
  9. W.T. Li, W.H. Wu, C.H. Tang, R. Tai and S.T. Chen, Comb. Sci., 13, 72 (2011); https://doi.org/10.1021/co1000234.
  10. T. Yempala, J.P. Sridevi, P. Yogeeswari, D. Sriram and S. Kantevari, Eur. J. Med. Chem., 71, 160 (2014); https://doi.org/10.1016/j.ejmech.2013.10.082.
  11. A. Anand, R.J. Naik, H.M. Revankar, M.V. Kulkarni, S.R. Dixit and S.D. Joshi, Eur. J. Med. Chem., 105, 194 (2015); https://doi.org/10.1016/j.ejmech.2015.10.019.
  12. S. Ulloora, R. Shabaraya and A.V. Adhikari, Bioorg. Med. Chem. Lett., 23, 3368 (2013); https://doi.org/10.1016/j.bmcl.2013.03.086.
  13. D.R. Buckle, C.J.M. Rockell, H. Smith and B.A. Spicer, J. Med. Chem., 29, 2262 (1986); https://doi.org/10.1021/jm00161a022.
  14. M.H. Shaikh, D.D. Subhedar, B.B. Shingate, F.A.K Khan, J.N. Sangshetti, V.M. Khedkar, L. Nawale, D. Sarkar, G.R. Navale and S.S. Shinde, Med. Chem. Res., 25, 790 (2016); https://doi.org/10.1007/s00044-016-1519-9.
  15. H. Stark, Arch. Pharm. Chem. Life Sci., 348, 1 (2015); https://doi.org/10.1002/ardp.201570004.
  16. E.M. Guantai, K. Ncokazi, T.J. Egan, J. Gut, P.J. Rosenthal, P.J. Smith and K. Chibale, Bioorg. Med. Chem., 18, 8243 (2010); https://doi.org/10.1016/j.bmc.2010.10.009.
  17. T. Duan, K. Fan, Y. Fu, C. Zhong, X. Chen, T. Peng and J. Qin, Dyes Pigments, 94, 28 (2012); https://doi.org/10.1016/j.dyepig.2011.11.008.
  18. R. González-Olvera, A. Espinoza-Vázquez, G. Negrón-Silva, M. PalomarPardavé, M. Romero-Romo and R. Santillan, Molecules, 18, 15064 (2013); https://doi.org/10.3390/molecules181215064.
  19. H.C. Kolb, M.G. Finn and K.B. Sharpless, Angew. Chem. Int. Ed., 40, 2004 (2001); https://doi.org/10.1002/1521-3773(20010601)40:11<2004::AID-ANIE2004>3.0.CO;2-5.
  20. C.W. Tornøe, C. Christensen and M. Meldal, J. Org. Chem., 67, 3057 (2002); https://doi.org/10.1021/jo011148j.
  21. R. Huisgen, G. Szeimies and L. Möbius, Chem. Ber., 100, 2494 (1967); https://doi.org/10.1002/cber.19671000806.
  22. K. Lal, C.P. Kaushik and A. Kumar, Med. Chem. Res., 24, 3258 (2015); https://doi.org/10.1007/s00044-015-1378-9.
  23. C.P. Kaushik, K. Kumar, B. Narasimhan, D. Singh, P. Kumar and A. Pahwa, Monatsh. Chem., 148, 765 (2017); https://doi.org/10.1007/s00706-016-1766-y.
  24. C.P. Kaushik and A. Pahwa, Med. Chem. Res., 27, 458 (2018); https://doi.org/10.1007/s00044-017-2072-x.
  25. C.P. Kaushik and A. Pahwa, Asian J. Chem., 29, 2171 (2017); https://doi.org/10.14233/ajchem.2017.20671.
  26. C.P. Kaushik, A. Pahwa, D. Kumar, A. Kumar, D. Singh, K. Kumar and R. Luxmi, J. Heterocycl. Chem., 55, 1720 (2018); https://doi.org/10.1002/jhet.3209.
  27. Marvin Sketch 5.10.1 ChemAxon Ltd. (1998-2012). http://www.chemaxon.com.
  28. C.W. Yap, J. Comput. Chem., 32, 1466 (2011); https://doi.org/10.1002/jcc.21707.
  29. S. Mor, S. Nagoria, A. Kumar, A. Kumar and C.P. Kaushik, Drug Res., 66, 436 (2016); https://doi.org/10.1055/s-0042-109392.
  30. http://teqip.jdvu.ac.in/QSAR_Tools/.
  31. M. Randic, J. Chem. Inf. Comput. Sci., 24, 164 (1984); https://doi.org/10.1021/ci00043a009.
  32. R. Todeschini and P. Gramatica, Perspect. Drug Discov. Des., 9/11, 355 (1998); https://doi.org/10.1023/A:1027284627085.
  33. R. Todeschini and V. Consonni, Molecular Descriptors for Chemoinformatics, Wiley VCH: Weinheim, pp. 27-37 (2009).
  34. R. Todeschini and V. Consonni, Molecular Descriptors for Chemoinformatics, Wiley VCH: Weinheim, pp. 550-552 (2009).
  35. R. Todeschini and V. Consonni, Molecular Descriptors for Chemoinformatics, Wiley VCH: Weinheim, pp. 395-402 and 574-579 (2009).
  36. P. Gramatica and A. Sangion, J. Chem. Inf. Model., 56, 1127 (2016); https://doi.org/10.1021/acs.jcim.6b00088.
  37. K. Roy, P. Chakraborty, I. Mitra, P.K. Ojha, S. Kar and R.N. Das, J. Comput. Chem., 34, 1071 (2013); https://doi.org/10.1002/jcc.23231.
  38. A. Golbraikh and A. Tropsha, J. Mol. Graph. Model., 20, 269 (2002); https://doi.org/10.1016/S1093-3263(01)00123-1.
  39. A. Tropsha, Mol. Inform., 29, 476 (2010); https://doi.org/10.1002/minf.201000061.
  40. H. Golmohammadi, Z. Dashtbozorgi and W.E. Acree Jr., Eur. J. Pharm. Sci., 47, 421 (2012); https://doi.org/10.1016/j.ejps.2012.06.021.
Read More
Author biographies is not available.
Download
PDF
Statistic
Read Counter : 0 Download : 0