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Synthesis and Molecular Docking Studies of Coumarinyl Thiazole as Cell Division Protein Kinase 2 Inhibitor
Corresponding Author(s) : T.F. Abbs Fen Reji
Asian Journal of Chemistry,
Vol. 31 No. 11 (2019): Vol 31 Issue 11
Abstract
A series of 2-alkylamino-4-(3-coumarinyl)thiazoles were synthesized, characterized and evaluated their anticancer activity through molecular docking studies. Cell division protein kinase 2 (PDB code: 1KE9) is selected as a target and the compounds which obeys Lipinski rule of five is selected as a ligand. Molecular docking study is carried out using AutoDock Vina in PyRx virtual screening tool. This study revealed that all the compounds are active against the molecular target and compounds 5a and 5c have the highest docking score.
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- A. Stefanachi, F. Leonetti, L. Pisani, M. Catto and A. Carotti, Molecules, 23, 250 (2018); https://doi.org/10.3390/molecules23020250.
- R.S. Keri, B.S. Sasidhar, B.M. Nagaraja and M. Amelia-Santos, Eur. J. Med. Chem., 100, 257 (2015); https://doi.org/10.1016/j.ejmech.2015.06.017.
- M.Z. Hassan, H. Osman, M.A. Ali and M.J. Ahsan, Eur. J. Med. Chem., 123, 236 (2016); https://doi.org/10.1016/j.ejmech.2016.07.056.
- H.M. Revankar, S.N.A. Bukhari, G.B. Kumar and H.-L. Qin, Bioorg. Chem., 71, 146 (2017); https://doi.org/10.1016/j.bioorg.2017.02.001.
- L.G. de Souza, M.N. Renno and J.D. Figueroa-Villar, Chem. Biol. Interact., 254, 11 (2016); https://doi.org/10.1016/j.cbi.2016.05.001.
- P. Anand, B. Singh and N. Singh, Bioorg. Med. Chem., 20, 1175 (2012); https://doi.org/10.1016/j.bmc.2011.12.042.
- K. Nepali, S. Sharma, M. Sharma, P.M.S. Bedi and K.L. Dhar, Eur. J. Med. Chem., 77, 422 (2014); https://doi.org/10.1016/j.ejmech.2014.03.018.
- A. Thakur, R. Singla and V. Jaitak, Eur. J. Med. Chem., 101, 476 (2015); https://doi.org/10.1016/j.ejmech.2015.07.010.
- S. Emami and S. Dadashpour, Eur. J. Med. Chem., 102, 611 (2015); https://doi.org/10.1016/j.ejmech.2015.08.033.
- D.K. Mahapatra, S.K. Bharti an V. Asati, Eur. J. Med. Chem., 98, 69 (2015); https://doi.org/10.1016/j.ejmech.2015.05.004.
- A. Rescifina, C. Zagni, M.G. Varrica, V. Pistarà and A. Corsaro, Eur. J. Med. Chem., 74, 95 (2014); https://doi.org/10.1016/j.ejmech.2013.11.029.
- V.K. Narayanaswamy, R.M. Gleiser, K. Kasumbwe, B.E. Aldhubiab, M.V. Attimarad and B. Odhav, Sci. World J., 2014, Article ID 189824, (2014); https://doi.org/10.1155/2014/189824.
- M.R. Yazdanbakhsh, A. Mohammadi and M. Abbasnia, Spectrochim. Acta A Mol. Biomol. Spectrosc., 77, 1084 (2010); https://doi.org/10.1016/j.saa.2010.08.079.
- V. Sumangala and N. Boja Poojarya, J. Chem. Pharm. Res., 4, 4979 (2012).
- B.S. Jayashree, D. Anuratha and K.N. Venugopala, Asian J. Chem., 17, 2093 (2005).
- H.A. El-Wahab, M.A. El-Fattah, N.A. El-Khalik and H.S. Nassar and M.M. Abdelall, Progr. Org. Coatings, 77, 1506 (2014); https://doi.org/10.1016/j.porgcoat.2014.04.026.
- S. Myers and A. Baker, Nat. Biotechnol., 19, 727 (2001); https://doi.org/10.1038/90765.
- C.M. Song, S.J. Lim and J.C. Tong, Brief. Bioinform., 10, 579 (2009); https://doi.org/10.1093/bib/bbp023.
- D. Sajan, Y. Erdogdu, R. Reshmy, Ö. Dereli, K.K. Thomas and I.H. Joe, Spectrochim. Acta A Mol. Biomol. Spectrosc., 82, 118 (2011); https://doi.org/10.1016/j.saa.2011.07.013.
References
A. Stefanachi, F. Leonetti, L. Pisani, M. Catto and A. Carotti, Molecules, 23, 250 (2018); https://doi.org/10.3390/molecules23020250.
R.S. Keri, B.S. Sasidhar, B.M. Nagaraja and M. Amelia-Santos, Eur. J. Med. Chem., 100, 257 (2015); https://doi.org/10.1016/j.ejmech.2015.06.017.
M.Z. Hassan, H. Osman, M.A. Ali and M.J. Ahsan, Eur. J. Med. Chem., 123, 236 (2016); https://doi.org/10.1016/j.ejmech.2016.07.056.
H.M. Revankar, S.N.A. Bukhari, G.B. Kumar and H.-L. Qin, Bioorg. Chem., 71, 146 (2017); https://doi.org/10.1016/j.bioorg.2017.02.001.
L.G. de Souza, M.N. Renno and J.D. Figueroa-Villar, Chem. Biol. Interact., 254, 11 (2016); https://doi.org/10.1016/j.cbi.2016.05.001.
P. Anand, B. Singh and N. Singh, Bioorg. Med. Chem., 20, 1175 (2012); https://doi.org/10.1016/j.bmc.2011.12.042.
K. Nepali, S. Sharma, M. Sharma, P.M.S. Bedi and K.L. Dhar, Eur. J. Med. Chem., 77, 422 (2014); https://doi.org/10.1016/j.ejmech.2014.03.018.
A. Thakur, R. Singla and V. Jaitak, Eur. J. Med. Chem., 101, 476 (2015); https://doi.org/10.1016/j.ejmech.2015.07.010.
S. Emami and S. Dadashpour, Eur. J. Med. Chem., 102, 611 (2015); https://doi.org/10.1016/j.ejmech.2015.08.033.
D.K. Mahapatra, S.K. Bharti an V. Asati, Eur. J. Med. Chem., 98, 69 (2015); https://doi.org/10.1016/j.ejmech.2015.05.004.
A. Rescifina, C. Zagni, M.G. Varrica, V. Pistarà and A. Corsaro, Eur. J. Med. Chem., 74, 95 (2014); https://doi.org/10.1016/j.ejmech.2013.11.029.
V.K. Narayanaswamy, R.M. Gleiser, K. Kasumbwe, B.E. Aldhubiab, M.V. Attimarad and B. Odhav, Sci. World J., 2014, Article ID 189824, (2014); https://doi.org/10.1155/2014/189824.
M.R. Yazdanbakhsh, A. Mohammadi and M. Abbasnia, Spectrochim. Acta A Mol. Biomol. Spectrosc., 77, 1084 (2010); https://doi.org/10.1016/j.saa.2010.08.079.
V. Sumangala and N. Boja Poojarya, J. Chem. Pharm. Res., 4, 4979 (2012).
B.S. Jayashree, D. Anuratha and K.N. Venugopala, Asian J. Chem., 17, 2093 (2005).
H.A. El-Wahab, M.A. El-Fattah, N.A. El-Khalik and H.S. Nassar and M.M. Abdelall, Progr. Org. Coatings, 77, 1506 (2014); https://doi.org/10.1016/j.porgcoat.2014.04.026.
S. Myers and A. Baker, Nat. Biotechnol., 19, 727 (2001); https://doi.org/10.1038/90765.
C.M. Song, S.J. Lim and J.C. Tong, Brief. Bioinform., 10, 579 (2009); https://doi.org/10.1093/bib/bbp023.
D. Sajan, Y. Erdogdu, R. Reshmy, Ö. Dereli, K.K. Thomas and I.H. Joe, Spectrochim. Acta A Mol. Biomol. Spectrosc., 82, 118 (2011); https://doi.org/10.1016/j.saa.2011.07.013.