Preferences help
enabled [disable] Abstract
Number of results
2019 | 131 | 54-74
Article title

FT-IR, 1H and 13C NMR QSAR and molecular docking study on some (E)-2-(2-((aryl)(phenyl)methylene) hydrazinyl)benzo[d]thiazoles

Title variants
Languages of publication
About six (E)-2-(2-((aryl)(phenyl)methylene)hydrazinyl)benzo[d]thiazoles have been synthesized and characterized by literature data. The infra-red stretching frequencies (ν, cm-1) of NH, CN, C=C and the NMR chemical shifts (δ, ppm) of NH, C=N and ipso carbons were assigned. These spectroscopic data were correlated for studying the QSAR employing Hammett equation with various Hammett substituent constants, Swain-Lupton’s F and R parameters using single and multi-regression analysis. From the results of regression analysis, the QSAR will be predicted by means of effects of substituents on the spectroscopic data of the functional group frequencies. The molecular docking character was evaluated by Schrodinger program, probing analogue docking in Topoisomerase enzymes. The crystallographic enzyme ligand complex (PDB entry 3TTZ) was obtained from the RCSB Protein Data Bank.
Physical description
  • Department of Chemistry, Annamalai University, Annamalainagar - 608002, India
  • Department of Chemistry, Annamalai University, Annamalainagar - 608002, India
  • Department of Chemistry, Annamalai University, Annamalainagar - 608002, India
  • [1] H. Schiff, Arm. Chem. 137, 1846, 118
  • [2] R. Tipson, Stuaret and M. A. Clapp, J. Org. Chem. 11, 1946, 292
  • [3] K. Hages, G. Gener and J. Orchut, J. Am. Chem. Soc. 72, 1950, 1205
  • [4] N. S. Giovambattista and R. Rabassa, Chem. Abstr. 49, 1955, 205
  • [5] G. Thirunarayanan, Indian J. Chem. 46(9) B, 2007, 1511
  • [6] M. Subramanian, G. Vanangamudi and G. Thirunarayanan, Spectrochim Acta, 110A, 2013, 116
  • [7] V. Manikandan, S. Balaji, R. Senbagam, R. Vijayakumar, M. Rajarajan, G. Vanangamudi, R. Arulkumaran, R. Sundararajan, G. Thirunarayanan, World Scientific News, 111, 2018, 26
  • [8] S. Manikandan and G. Thirunarayanan, World Scientific. News, 103, 2018,
  • [9] SP. Sakthinathan, R. Suresh, D. Kamalakkannan, V. Mala, K. Sathiyamoorthi, G. Vanangamudi and G. Thirunarayanan, J. Chil. Chem. Soc. 63(2), 2018, 3918. 2
  • [10] G. Thirunarayanan, Macidonian J. Chem. Chem. Engg. 36(1), 1-14, 2017
  • [11] S. Balaji, M. Rajarajan, R. Vijayakumar, V. Manikandan, R. Senbagam, G. Vanangamudi, G. Thirunarayanan, Orbital: The Electronic J. Chem. 9(1), 2017, 1
  • [12] G. Vanangamudi, M. Subramanian and G. Thirunarayanan, Arabian J. Chem. 10, 2017, S1254
  • [13] G. Thirunarayanan and K. G. Sekar, J. Saudi Chem. Soc. 20, 2016, 661
  • [14] G. Vanangamudi, M. Subramanian, P. Jayanthi, R. Arulkumaran, D. Kamalakkannan and G. Thirunarayanan, Arabian J. Chem. 9, 2016, S717
  • [15] C. G. Swain, E. C. Lupton, J. Am. Chem. Soc. 90, 1968, 4328
Document Type
Publication order reference
YADDA identifier
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.