Molecular docking, synthesis and study of substituted 1-Methyl-6-Oxo-2-[(2z)-2-(3-Oxo-4-Phenylazetidin-2-Ylidene)Hydrazinyl]-4-Phenyl-1,6-dihydropyrimidine-5-carbonitrile derivatives
Keywords:
carbonitrile derivatives, molecular docking, CDK4 proteinsAbstract
Synthesis of Substituted 2-[(2-chloro-4-oxo-3-phenylazetidin-1-yl)amino]-1-methyl-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile(6a-r) and 1-methyl-6-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile (7a-o)Derivatives was completed using aromatic aldehyde, ethylcyanoacetate and thiourea in absolute ethanol as per the standard procedure.The completion of reactionmonitored by TLC and structure were confirmed by spectroscopic method viz FT-IR and 1H NMR and elemental analysis.The affinity of synthesized compounds with CDK4 protein was predicted by molecular docking studies. The docking results showed that compound 6l, 6p and 6r has highest affinity with CDK4 protein with minimum energy with good hydrogen bonding interaction.
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Ahmed, N. M., Youns, M., Soltan, M. K., & Said, A. M. (2019). Design, synthesis, molecular modelling, and biological evaluation of novel substituted pyrimidine derivatives as potential anticancer agents for hepatocellular carcinoma. Journal of enzyme inhibition and medicinal chemistry, 34(1), 1110-1120.
Ali, H. R., &Naser, A. W. (2022). Synthesis, biological activity and molecular docking study of some new chalcones, pyrazolines and isoxazolines derivatives bearing 1,2,3- triazoline. International Journal of Health Sciences, 6(S6), 76–118. https://doi.org/10.53730/ijhs.v6nS6.9173
Gürdere, M. B., Kamo, E., YAĞLIOĞLU, A. Ş., Budak, Y., &Ceylan, M. (2017). Synthesis and in vitro anticancer evaluation of 1, 4-phenylene-bis-pyrimidine-2-amine derivatives. Turkish Journal of Chemistry, 41(2), 263-271.
Hafez, H. N., & El-Gazzar, A. R. (2017). Synthesis and evaluation of antitumor activity of new 4-substituted thieno [3, 2-d]-pyrimidine and thienotriazolopyrimidine derivatives. ActaPharmaceutica, 67(4), 527-542.
Huang, T., Wu, X., Liu, T., An, L., & Yin, X. (2019). Synthesis and anticancer activity evaluation of novel oxacalix [2] arene [2] pyrimidine derivatives. Medicinal Chemistry Research, 28(4), 580-590.
Kumar, B., Sharma, P., Gupta, V. P., Khullar, M., Singh, S., Dogra, N., & Kumar, V. (2018). Synthesis and biological evaluation of pyrimidine bridged combretastatin derivatives as potential anticancer agents and mechanistic studies. Bioorganic chemistry, 78, 130-140.
Liu, Y. M., Chen, C. H., Yeh, T. K., &Liou, J. P. (2019). Synthesis and evaluation of novel 7 H-pyrrolo-[2, 3-d] pyrimidine derivatives as potential anticancer agents. Future Medicinal Chemistry, 11(09), 959-974.
Marvaniya, V., Joshi, H. V., Shah, U. A., Patel, J. K., & Patel, J. R. (2022). Docking, synthesis and biological evaluation of pyridine ring containing Diaryl urea derivatives as anticancer agents. International Journal of Health Sciences, 6(S3), 2851–2865. https://doi.org/10.53730/ijhs.v6nS3.6200
Mohamed, M. M., Khalil, A. K., Abbass, E. M., & El-Naggar, A. M. (2017). Design, synthesis of new pyrimidine derivatives as anticancer and antimicrobial agents. Synthetic Communications, 47(16), 1441-1457.
Saddik, A. A., Kamal El‐Dean, A. M., El‐Said, W. A., Hassan, K. M., &Abbady, M. S. (2018). Synthesis, antimicrobial, and anticancer activities of a new series of thieno [2, 3‐d] pyrimidine derivatives. Journal of Heterocyclic Chemistry, 55(9), 2111-2122.
Veach, D. R., Namavari, M., Beresten, T., Balatoni, J., Minchenko, M., Djaballah, H., ...& Larson, S. M. (2005). Synthesis and in vitro examination of [124I]-,[125I]-and [131I]-2-(4-iodophenylamino) pyrido [2, 3-d] pyrimidin-7-one radiolabeled Abl kinase inhibitors. Nuclear medicine and biology, 32(4), 313-321.
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