Issue

Vol. 34 No. 4 (2022): Vol 34 Issue 4, 2022

Copyright (c) 2022 AJC

Creative Commons License

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

Lead(II) Schiff Base Complexes: Design, Synthesis, Theoretical, Antibacterial and Docking Studies

https://doi.org/10.14233/ajchem.2022.23634
Anupama Sharma
Department of Chemistry, Mody University of Science and Technology, Lakshmangarh-332311, India
Shivendra Singh
Department of Chemistry, Mody University of Science and Technology, Lakshmangarh-332311, India ; Department of Applied Chemistry, Amity University Madhya Pradesh, Gwalior-474 015, India
Harlal Singh
Department of Chemistry, Mody University of Science and Technology, Lakshmangarh-332311, India

Corresponding Author(s) : Harlal Singh

hlsingh9@rediffmail.com

Asian Journal of Chemistry, Vol. 34 No. 4 (2022): Vol 34 Issue 4, 2022

Abstract

This study presented the bioactive lead(II) compounds of oxazine and thiazine Schiff-bases using NMR (1H, 13C), FT-infrared spectroscopy, UV-visible, molar conductance, elemental analysis and molecular weight. The molecular parameters e.g. bond length, bond angle, HOMO/LUMO energy gap and softness/hardness was calculated by DFT-B3LYP/Lanl2dz basis set. According to the spectral data, the Schiff-base coordinated to the lead atom in bidentate mode. A theoretical DFT computational investigation was conducted to supplement the experimental data. The antibacterial activity of lead complexes against E. coli (–) and S. aureus (+) bacteria was determined by disc-diffusion method. Lead complexes of thiazine derivatives are more active than oxazine derivatives. In order to better understand the molecular interaction and binding mode of the drugs, a molecular docking study has been carried out on the protein 3q8u (NDK) from S. aureus. A docking investigation with the NDK protein (S. aureus) revealed that compound 1h has the highest binding affinity (-8.18 Kcal/mol) among the eight ligands (1a-h).

Keywords

Lead(II) complexes Schiff base Spectral Computational Antibacterial Molecular docking studies
Sharma, A., Singh, S., & Singh, H. (2022). Lead(II) Schiff Base Complexes: Design, Synthesis, Theoretical, Antibacterial and Docking Studies. Asian Journal of Chemistry, 34(4), 945–952. https://doi.org/10.14233/ajchem.2022.23634
Download Citation
Endnote/Zotero/Mendeley (RIS)
BibTeX
References
  1. P. Modak, W. Hammond, M. Jaffe, M. Nadig and R. Russo, J. Appl. Polym. Sci., 137, 49756 (2020); https://doi.org/10.1002/app.49756
  2. E. Raczuk, B. Dmochowska, J. Samaszko-Fiertek and J. Madaj, Molecules, 27, 787 (2022); https://doi.org/10.3390/molecules27030787
  3. A. Kajal, S. Bala, S. Kamboj, N. Sharma and V. Saini, J. Catal., 2013, 893512 (2013); https://doi.org/10.1155/2013/893512
  4. A.K. Varshney, S. Varshney, M. Sharma and H.L. Singh, Phosphorus Sulfur Silicon Rel. Elem., 161, 163 (2000); https://doi.org/10.1080/10426500008042104
  5. H. ElGhamry, N. El-Wakiel and A. Khamis, Appl. Organomet. Chem., 32, e4583 (2018); https://doi.org/10.1002/aoc.4583
  6. S. Sarkar, M. Jana, T. Mondal and C. Sinha, J. Organomet. Chem., 716, 129 (2012); https://doi.org/10.1016/j.jorganchem.2012.06.009
  7. N. Turan, J. Electron. Mater., 48, 7366 (2019); https://doi.org/10.1007/s11664-019-07562-3
  8. V.S.V. Rani, T. Dhanasekaran, M. Jayathuna, V. Narayanan and D. Jesudurai, Mater. Today Proc., 5, 8784 (2018); https://doi.org/10.1016/j.matpr.2017.12.306
  9. M.K. Ghosh, S. Pathak and T.K. Ghorai, ACS Omega, 4, 16068 (2019); https://doi.org/10.1021/acsomega.9b02268
  10. S. Shaygan, H. Pasdar, N. Foroughifar, M. Davallo and F. Motiee, Appl. Sci., 8, 385 (2018); https://doi.org/10.3390/app8030385
  11. M.A. Malik, O.A. Dar, P. Gull, M.Y. Wani and A.A. Hashmi, MedChemComm, 9, 409 (2018); https://doi.org/10.1039/C7MD00526A
  12. H.L. Singh, J.B. Singh and S. Bhanuka, J. Assoc. Arab Univ. Basic Appl. Sci., 23, (2017); https://doi.org/10.1016/j.jaubas.2016.05.003
  13. A. Reiss, N. Cioaterã, A. Dobritescu, M. Rotaru, A.C. Carabet, F. Parisi, A. Gãnescu, I. Dãbuleanu, C.I. Spînu and P. Rotaru, Molecules, 26, 3062 (2021); https://doi.org/10.3390/molecules26103062
  14. S.N. Sovari and F. Zobi, Chem. Eur. J., 2, 418 (2020); https://doi.org/10.3390/chemistry2020026
  15. S.E.A. El-Razek, S.M. El-Gamasy, M. Hassan, M.S. Abdel-Aziz and S.M. Nasr, J. Mol. Struct., 1203, 127381 (2020); https://doi.org/10.1016/j.molstruc.2019.127381
  16. E. Peterson and P. Kaur, Front. Microbiol., 9, 2928 (2018); https://doi.org/10.3389/fmicb.2018.02928
  17. M.J. Cheesman, A. Ilanko, B. Blonk and I.E. Cock, Pharmacogn. Rev., 11, 57 (2017); https://doi.org/10.4103/phrev.phrev_21_17
  18. A.R.M. Coates and Y. Hu, Br. J. Pharmacol., 152, 1147 (2007); https://doi.org/10.1038/sj.bjp.0707432
  19. A. Evans and K.A. Kavanagh, J. Med. Microbiol., 70, 001363 (2021); https://doi.org/10.1099/jmm.0.001363
  20. E. Lionta, G. Spyrou, D.K. Vassilatis and Z. Cournia, Curr. Top. Med. Chem., 14, 1923 (2014); https://doi.org/10.2174/1568026614666140929124445
  21. P. Szymañski, M. Markowicz and E. MikiciukOlasik, Int. J. Mol. Sci., 13, 427 (2011); https://doi.org/10.3390/ijms13010427
  22. R.J. Henry, Bacteriol. Rev., 7, 175 (1943); https://doi.org/10.1128/br.7.4.175-262.1943
  23. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez and J.A. Pople, Gaussian, Inc., Wallingford CT (2004).
  24. A. Sharma, S. Khaturia and H.L. Singh, Asian J. Chem., 33, 531 (2021); https://doi.org/10.14233/ajchem.2021.23050
  25. M. Mansourian, A. Fassihi, L. Saghaie, A. Madadkar-Sobhani, K. Mahnam and M. Abbasi, Med. Chem. Res., 24, 394 (2015); https://doi.org/10.1007/s00044-014-1133-7
  26. G.M. Morris, R. Huey, W. Lindstrom, M.F. Sanner, R.K. Belew, D.S. Goodsell and A.J. Olson, J. Comput. Chem., 30, 2785 (2009); https://doi.org/10.1002/jcc.21256
  27. H.L. Singh, J. Singh and A. Mukherjee, Bioinorg. Chem. Appl., 2013, 425832 (2013); https://doi.org/10.1155/2013/425832
  28. H.L. Singh, J.B. Singh and H. Sachedva, Spectrosc. Lett., 46, 286 (2013); https://doi.org/10.1080/00387010.2012.700545
  29. H.L. Singh, S.S. Chauhan and H. Sachedva, Res. Chem. Intermed., 36, 1037 (2010); https://doi.org/10.1007/s11164-010-0216-4
  30. S. Bhanuka and H.L. Singh, Rasayan J. Chem., 10, 673 (2017); https://doi.org/10.7324/RJC.2017.1021668
  31. M.R. Yeaman and N.Y. Yount, Pharmacol. Rev., 55, 27 (2003); https://doi.org/10.1124/pr.55.1.2
Read More
Author biographies is not available.
Download
PDF
Statistic
Read Counter : 0 Download : 0