Discovery of potential Aurora-A kinase inhibitors by 3D QSAR pharmacophore modeling, virtual screening, docking, and MD simulation studies

References

• Abbas, N., Matada, G. S., Dhiwar, P. S., Patel, S., & Devasahayam, G. (2021). Fused and substituted pyrimidine derivatives as a profound anticancer agent. Anti-Cancer Agents in Medicinal Chemistry, 21(7), 861–893. https://doi.org/10.2174/1871520620666200721104431
   PubMed Web of Science ®Google Scholar
• Abraham, M. J., Murtola, T., Schulz, R., Páll, S., Smith, J. C., Hess, B., & Lindahl, E. (2015). GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX, 1–2, 19–25. https://doi.org/10.1016/j.softx.2015.06.001
   Google Scholar
• Araki, K., Nozaki, K., Ueba, T., Tatsuka, M., & Hashimoto, N. (2004). High expression of aurora-B/aurora and Ipll-like midbody-associated protein (AIM-1) in astrocytomas. Journal of Neuro-Oncology, 67(1–2), 53–64. https://doi.org/10.1023/B:NEON.0000021784.33421.05
   PubMed Web of Science ®Google Scholar
• Bavetsias, V., & Linardopoulos, S. (2015). Aurora kinase inhibitors: Current status and outlook. Frontiers in Oncology, 5, 278.
   PubMed Web of Science ®Google Scholar
• Belanger, D. B., Curran, P. J., Hruza, A., Voigt, J., Meng, Z., Mandal, A. K., Siddiqui, M. A., Basso, A. D., & Gray, K. (2010). Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors . Bioorganic & Medicinal Chemistry Letters, 20(17), 5170–5174. https://doi.org/10.1016/j.bmcl.2010.07.008
   PubMed Web of Science ®Google Scholar
• Bernard, M., Sanseau, P., Henry, C., Couturier, A., & Prigent, C. (1998). Cloning of STK13, a third human protein kinase related to Drosophila aurora and budding yeast Ipl1 that maps on chromosome 19q13.3-ter. Genomics, 53(3), 406–409. https://doi.org/10.1006/geno.1998.5522
   PubMed Web of Science ®Google Scholar
• Binch, H., Hashimoto, M., Iwama, T., Kawanishi, N., Mortimore, M., Ohkubo, M., Sunami, T., inventors; MSD KK, Vertex Pharmaceuticals Inc, assignee. (2013, July). Aminopyridine derivatives having Aurora A selective inhibitory action (United States Patent US 8,492,397).
   Google Scholar
• Blanchard, S., William, A. D., Lee, A. C.-H., Poulsen, A., Teo, E. L., Deng, W., Tu, N., Tan, E., Goh, K. L., Ong, W. C., Ng, C. P., Goh, K. C., Bonday, Z., & Sun, E. T. (2010). Synthesis and evaluation of alkenyl indazoles as selective Aurora kinase inhibitors. Bioorganic & Medicinal Chemistry Letters, 20(8), 2443–2447. https://doi.org/10.1016/j.bmcl.2010.03.018
   PubMed Web of Science ®Google Scholar
• Bouloc, N., Large, J. M., Kosmopoulou, M., Sun, C., Faisal, A., Matteucci, M., Reynisson, J., Brown, N., Atrash, B., Blagg, J., McDonald, E., Linardopoulos, S., Bayliss, R., & Bavetsias, V. (2010). Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells . Bioorganic & Medicinal Chemistry Letters, 20(20), 5988–5993. https://doi.org/10.1016/j.bmcl.2010.08.091
   PubMed Web of Science ®Google Scholar
• Carmena, M., & Earnshaw, W. C. (2003). The cellular geography of aurora kinases. Nature Reviews. Molecular Cell Biology, 4(11), 842–854. https://doi.org/10.1038/nrm1245
   PubMed Web of Science ®Google Scholar
• Carpinelli, P., & Moll, J. (2008). Aurora kinase inhibitors: Identification and preclinical validation of their biomarkers. Expert Opinion on Therapeutic Targets, 12(1), 69–80. https://doi.org/10.1517/14728222.12.1.69
   PubMed Web of Science ®Google Scholar
• Chang, C. F., Lin, W. H., Ke, Y. Y., Lin, Y. S., Wang, W. C., Chen, C. H., Kuo, P. C., Hsu, J. T., Uang, B. J., & Hsieh, H. P. (2016). Discovery of novel inhibitors of Aurora kinases with indazole scaffold: In silico fragment-based and knowledge-based drug design. European Journal of Medicinal Chemistry, 124, 186–199. https://doi.org/10.1016/j.ejmech.2016.08.026
   PubMed Web of Science ®Google Scholar
• Cheung, C. H. A., Sarvagalla, S., Lee, J. Y.-C., Huang, Y.-C., & Coumar, M. S. (2014). Aurora kinase inhibitor patents and agents in clinical testing: An update (2011–2013). Expert Opinion on Therapeutic Patents, 24(9), 1021–1038. https://doi.org/10.1517/13543776.2014.931374
   PubMed Web of Science ®Google Scholar
• Chieffi, P., Troncone, G., Caleo, A., Libertini, S., Linardopoulos, S., Tramontano, D., & Portella, G. (2004). Aurora B expression in normal testis and seminomas. The Journal of Endocrinology, 181(2), 263–270. https://doi.org/10.1677/joe.0.1810263
   PubMed Web of Science ®Google Scholar
• D'Alise, A. M., Amabile, G., Iovino, M., Di Giorgio, F. P., Bartiromo, M., Sessa, F., Villa, F., Musacchio, A., & Cortese, R. (2008). Reversine, a novel Aurora kinases inhibitor, inhibits colony formation of human acute myeloid leukemia cells. Molecular Cancer Therapeutics, 7(5), 1140–1149. https://doi.org/10.1158/1535-7163.MCT-07-2051
   PubMed Web of Science ®Google Scholar
• Deng, X.-Q., Wang, H.-Y., Zhao, Y.-L., Xiang, M.-L., Jiang, P.-D., Cao, Z.-X., Zheng, Y.-Z., Luo, S.-D., Yu, L.-T., Wei, Y.-Q., & Yang, S.-Y. (2008). Pharmacophore modelling and virtual screening for identification of new Aurora-A kinase inhibitors . Chemical Biology & Drug Design, 71(6), 533–539. https://doi.org/10.1111/j.1747-0285.2008.00663.x
   PubMed Web of Science ®Google Scholar
• Discovery Studio 3.5. (2009). Accelrys: 9685 Scranton Road, San Diego, CA 92121, USA.
   Google Scholar
• Dong, J., Zhang, Q., Wang, Z., Huang, G., & Li, S. (2018). Recent advances in the development of indazole-based anticancer agents. ChemMedChem, 13(15), 1490–1507. https://doi.org/10.1002/cmdc.201800253
   PubMed Web of Science ®Google Scholar
• Eric, S., Ke, S., Barata, T., Solmajer, T., Stankovic, J. A., Juranic, Z., Savic, V., & Zloh, M. (2012). Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity. Bioorganic & Medicinal Chemistry, 20(17), 5220–5228. https://doi.org/10.1016/j.bmc.2012.06.051
   PubMed Web of Science ®Google Scholar
• Fancelli, D., Moll, J., Varasi, M., Bravo, R., Artico, R., Berta, D., Bindi, S., Cameron, A., Candiani, I., Cappella, P., Carpinelli, P., Croci, W., Forte, B., Giorgini, M. L., Klapwijk, J., Marsiglio, A., Pesenti, E., Rocchetti, M., Roletto, F., … Vianello, P., Jr. (2006). 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: Identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile. Journal of Medicinal Chemistry, 49(24), 7247–7251. https://doi.org/10.1021/jm060897w
   PubMed Web of Science ®Google Scholar
• Fischer, R. (1966). The principle of experimentation, illustrated by a psycho-physical experiment. The design of experiments, 1-256. New York, USA: Hafner Publishing Co.
   Google Scholar
• Fu, J., Bian, M., Jiang, Q., & Zhang, C. (2007). Roles of Aurora kinases in mitosis and tumorigenesis. Molecular Cancer Research: MCR, 5(1), 1–10. https://doi.org/10.1158/1541-7786.MCR-06-0208
   PubMed Web of Science ®Google Scholar
• Ghasemi, F., Zomorodipour, A., Karkhane, A. A., & Khorramizadeh, M. R. (2016). In silico designing of hyper-glycosylated analogs for the human coagulation factor IX. Journal of Molecular Graphics & Modelling, 68, 39–47. https://doi.org/10.1016/j.jmgm.2016.05.011
   PubMed Web of Science ®Google Scholar
• Ghorab, M. M., Al-Dhfyan, A., Al-Dosari, M. S., El-Gazzar, M. G., & AlSaid, M. S. (2014). Antiproliferative activity of novel thiophene and thienopyrimidine derivatives. Drug Research, 64(6), 313–320.
   Google Scholar
• Giet, R., & Prigent, C. (1999). Aurora/Ipl1p-related kinases, a new oncogenic family of mitotic serine-threonine kinases. Journal of Cell Science, 112(21), 3591–3601. https://doi.org/10.1242/jcs.112.21.3591
   PubMed Web of Science ®Google Scholar
• Giet, R., Petretti, C., & Prigent, C. (2005). Aurora kinases, aneuploidy and cancer, a coincidence or a real link. Trends in Cell Biology, 15(5), 241–250. https://doi.org/10.1016/j.tcb.2005.03.004
   PubMed Web of Science ®Google Scholar
• Girdler, F., Gascoigne, K. E., Eyers, P. A., Hartmuth, S., Crafter, C., Foote, K. M., Keen, N. J., & Taylor, S. S. (2006). Validating aurora B as an anti-cancer drug target. Journal of Cell Science, 119(Pt 17), 3664–3675. https://doi.org/10.1242/jcs.03145
   PubMed Web of Science ®Google Scholar
• Gritsko, T. M., Coppola, D., Paciga, J. E., Yang, L., Sun, M., Shelley, S. A., Fiorica, J. V., Nicosia, S. V., & Cheng, J. Q. (2003). Activation and overexpression of centrosome kinase BTAK/aurora-A in human ovarian cancer. Clinical Cancer Research: An Official Journal of the American Association for Cancer Research, 9(4), 1420–1426.
   PubMed Web of Science ®Google Scholar
• Gustafson, W. C., Meyerowitz, J. G., Nekritz, E. A., Chen, J., Benes, C., Charron, E., Simonds, E. F., Seeger, R., Matthay, K. K., Hertz, N. T., Eilers, M., Shokat, K. M., & Weiss, W. A. (2014). Drugging MYCN through an allosteric transition in aurora kinase A. Cancer Cell, 26(3), 414–427. https://doi.org/10.1016/j.ccr.2014.07.015
   PubMed Web of Science ®Google Scholar
• Harrington, E. A., Bebbington, D., Moore, J., Rasmussen, R. K., Ajose-Adeogun, A. O., Nakayama, T., Graham, J. A., Demur, C., Hercend, T., Diu-Hercend, A., Su, M., Golec, J. M. C., & Miller, K. M. (2004). VX-680, a potent and selective small-molecule inhibitor of the Aurora kinases, suppresses tumor growth in vivo. Nature Medicine, 10(3), 262–267. https://doi.org/10.1038/nm1003
   PubMed Web of Science ®Google Scholar
• Heron, N. M., Anderson, M., Blowers, D. P., Breed, J., Eden, J. M., Green, S., Hill, G. B., Johnson, T., Jung, F. H., McMiken, H. H. J., Mortlock, A. A., Pannifer, A. D., Pauptit, R. A., Pink, J., Roberts, N. J., & Rowsell, S. (2006). SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors. Bioorganic & Medicinal Chemistry Letters, 16(5), 1320–1323. https://doi.org/10.1016/j.bmcl.2005.11.053
   PubMed Web of Science ®Google Scholar
• ChEMBL Database. 2019. https://www.ebi.ac.uk/chembl/
   Google Scholar
• Iwasawa, Y., Kato, T., Kawanishi, N., Masutani, K., Mita, T., Nonoshita, K., & Ohkubo, M., inventors; MSD KK, assignee. (2011, March). Aminopyridine derivatives having aurora A selective inhibitory action (United States Patent US 7,915,263). https://doi.org/10.1038/nm1003
   Google Scholar
• Joshi, A. J., Gadhwal, M. K., & Joshi, U. J. (2014). A combined approach based on 3D pharmacophore and docking for identification of new aurora A kinase inhibitors. Medicinal Chemistry Research, 23(3), 1414–1436. https://doi.org/10.1007/s00044-013-0747-5
   Web of Science ®Google Scholar
• Joshi, T., Joshi, T., Sharma, P., Chandra, S., & Pande, V. (2020). Molecular docking and molecular dynamics simulation approach to screen natural compounds for inhibition of Xanthomonas oryzae pv. Oryzae by targeting peptide deformylase. Journal of Biomolecular Structure and Dynamics, 29, 1–8.
   Google Scholar
• Kaestner, P., Stolz, A., & Bastians, H. (2009). Determinants for the efficiency of anticancer drugs targeting either aurora-A or aurora-B kinases in human colon carcinoma cells. Molecular Cancer Therapeutics, 8(7), 2046–2056. https://doi.org/10.1158/1535-7163.MCT-09-0323
   PubMed Web of Science ®Google Scholar
• Kato, T., Kawanishi, N., Mita, T., Nonoshita, K., & Ohkubo, M., inventors; MSD KK, assignee. (2013, August). Aminopyridine derivatives having aurora a selective inhibitory action (United States Patent US 8,519,136). https://patents.google.com/patent/US8492397B2/en
   Google Scholar
• Ke, Y.-Y., Chang, C.-P., Lin, W.-H., Tsai, C.-H., Chiu, I.-C., Wang, W.-P., Wang, P.-C., Chen, P.-Y., Lin, W.-H., Chang, C.-F., Kuo, P.-C., Song, J.-S., Shih, C., Hsieh, H.-P., & Chi, Y.-H. (2018). Design and synthesis of BPR1K653 derivatives targeting the back pocket of Aurora kinases for selective isoform inhibition. European Journal of Medicinal Chemistry, 151, 533–545. https://doi.org/10.1016/j.ejmech.2018.03.064
   PubMed Web of Science ®Google Scholar
• Kimura, M., Matsuda, Y., Yoshioka, T., & Okano, Y. (1999). Cell cycle-dependent expression and centrosome localization of a third human aurora/Ipl1-related protein kinase, AIK3. The Journal of Biological Chemistry, 274(11), 7334–7340. https://doi.org/10.1074/jbc.274.11.7334
   PubMed Web of Science ®Google Scholar
• Kollareddy, M., Zheleva, D., Dzubak, P., Brahmkshatriya, P. S., Lepsik, M., & Hajduch, M. (2012). Aurora kinase inhibitors: Progress towards the clinic. Investigational New Drugs, 30(6), 2411–2432. https://doi.org/10.1007/s10637-012-9798-6
   PubMed Web of Science ®Google Scholar
• Kurokawa, C., Geekiyanage, H., Allen, C., Iankov, I., Schroeder, M., Carlson, B., Bakken, K., Sarkaria, J., Ecsedy, J. A., D'Assoro, A., Friday, B., & Galanis, E. (2017). Alisertib demonstrates significant antitumor activity in bevacizumab resistant, patient derived orthotopic models of glioblastoma. Journal of Neuro-Oncology, 131(1), 41–48. https://doi.org/10.1007/s11060-016-2285-8
   PubMed Web of Science ®Google Scholar
• Lawrence, H. R., Martin, M. P., Luo, Y., Pireddu, R., Yang, H., Gevariya, H., Ozcan, S., Zhu, J.-Y., Kendig, R., Rodriguez, M., Elias, R., Cheng, J. Q., Sebti, S. M., Schonbrunn, E., & Lawrence, N. J. (2012). Development of o-chlorophenyl substituted pyrimidines as exceptionally potent Aurora kinase inhibitors. Journal of Medicinal Chemistry, 55(17), 7392–7416. https://doi.org/10.1021/jm300334d
   PubMed Web of Science ®Google Scholar
• Le Brazidec, J.-Y., Pasis, A., Tam, B., Boykin, C., Wang, D., Marcotte, D. J., Claassen, G., Chong, J.-H., Chao, J., Fan, J., Nguyen, K., Silvian, L., Ling, L., Zhang, L., Choi, M., Teng, M., Pathan, N., Zhao, S., Li, T., & Taveras, A. (2012). Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors . Bioorganic & Medicinal Chemistry Letters, 22(12), 4033–4037. https://doi.org/10.1016/j.bmcl.2012.04.085
   PubMed Web of Science ®Google Scholar
• Leng, Y., Lu, T., Yuan, H. L., Liu, H. C., Lu, S., Zhang, W. W., Jiang, Y. L., & Chen, Y. D. (2012). QSAR studies on imidazopyrazine derivatives as Aurora A kinase inhibitors. SAR and QSAR in Environmental Research, 23(7–8), 705–730. https://doi.org/10.1080/1062936X.2012.719541
   PubMed Web of Science ®Google Scholar
• Lens, S. M. A., Voest, E. E., & Medema, R. H. (2010). Shared and separate functions of polo-like kinases and aurora kinases in cancer. Nature Reviews. Cancer, 10(12), 825–841. https://doi.org/10.1038/nrc2964
   PubMed Web of Science ®Google Scholar
• Lew, W., Baskaran, S., Oslob, JD., Yoburn, J. C., & Zhong, M., inventors; Sunesis Pharmaceuticals Inc, assignee. (2009, October). Thienopyrimidines useful as Aurora kinase inhibitors (United States Patent US 7,601,725). https://europepmc.org/article/med/18678489
   Google Scholar
• Li, J., Hu, H., Lang, Q., Zhang, H., Huang, Q., Wu, Y., & Yu, L. (2013). A thienopyrimidine derivative induces growth inhibition and apoptosis in human cancer cell lines via inhibiting Aurora B kinase activity. European Journal of Medicinal Chemistry, 65, 151–157. https://doi.org/10.1016/j.ejmech.2013.04.058
   PubMed Web of Science ®Google Scholar
• Luo, Y., Deng, Y.-Q., Wang, J., Long, Z.-J., Tu, Z.-C., Peng, W., Zhang, J.-Q., Liu, Q., & Lu, G. (2014). Design, synthesis and bioevaluation of N-trisubstituted pyrimidine derivatives as potent aurora A kinase inhibitors. European Journal of Medicinal Chemistry, 78, 65–71. https://doi.org/10.1016/j.ejmech.2014.03.027
   PubMed Web of Science ®Google Scholar
• Matada, G. S. P., Dhiwar, P. S., Abbas, N., Singh, E., Ghara, A., Das, A., & Bhargava, S. V. (2021). Molecular docking and molecular dynamic studies: Screening of phytochemicals against EGFR, HER2, estrogen and NF-KB receptors for their potential use in breast cancer. Journal of Biomolecular Structure and Dynamics, 1–11. https://doi.org/10.1080/07391102.2021.1877823
   Google Scholar
• McClellan, W. J., Dai, Y., Abad-Zapatero, C., Albert, D. H., Bouska, J. J., Glaser, K. B., Magoc, T. J., Marcotte, P. A., Osterling, D. J., Stewart, K. D., Davidsen, S. K., & Michaelides, M. R. (2011). Discovery of potent and selective thienopyrimidine inhibitors of Aurora kinases. Bioorganic & Medicinal Chemistry Letters, 21(18), 5620–5624. https://doi.org/10.1016/j.bmcl.2011.06.041
   PubMed Web of Science ®Google Scholar
• Morshed, M. N., Cho, Y. S., Seo, S. H., Han, K.-C., Yang, E. G., & Pae, A. N. (2011). Computational approach to the identification of novel Aurora-A inhibitors. Bioorganic & Medicinal Chemistry, 19(2), 907–916. https://doi.org/10.1016/j.bmc.2010.11.064
   PubMed Web of Science ®Google Scholar
• Oslob, J. D., Romanowski, M. J., Allen, D. A., Baskaran, S., Bui, M., Elling, R. A., Flanagan, W. M., Fung, A. D., Hanan, E. J., Harris, S., Heumann, S. A., Hoch, U., Jacobs, J. W., Lam, J., Lawrence, C. E., McDowell, R. S., Nannini, M. A., Shen, W., Silverman, J. A., … Lew, W. (2008). Discovery of a potent and selective Aurora kinase inhibitor. Bioorganic & Medicinal Chemistry Letters, 18(17), 4880–4884. https://doi.org/10.1016/j.bmcl.2008.07.073
   PubMed Web of Science ®Google Scholar
• Otto, T., Horn, S., Brockmann, M., Eilers, U., Schüttrumpf, L., Popov, N., Kenney, A. M., Schulte, J. H., Beijersbergen, R., Christiansen, H., Berwanger, B., & Eilers, M. (2009). Stabilization of N-Myc is a critical function of aurora A in human neuroblastoma. Cancer Cell, 15(1), 67–78. https://doi.org/10.1016/j.ccr.2008.12.005
   PubMed Web of Science ®Google Scholar
• Pan, W., Liu, H., Xu, Y.-J., Chen, X., Kim, K. H., Milligan, D. L., Columbus, J., Hadari, Y. R., Kussie, P., Wong, W. C., & Labelle, M. (2005). Pyrimido-oxazepine as a versatile template for the development of inhibitors of specific kinases. Bioorganic & Medicinal Chemistry Letters, 15(24), 5474–5477. https://doi.org/10.1016/j.bmcl.2005.08.098
   PubMed Web of Science ®Google Scholar
• Pollard, J. R., & Mortimore, M. (2009). Discovery and development of Aurora kinase inhibitors as anticancer agents. Journal of Medicinal Chemistry, 52(9), 2629–2651. https://doi.org/10.1021/jm8012129
   PubMed Web of Science ®Google Scholar
• Qi, G., Liu, J., Mi, S., Tsunematsu, T., Jin, S., Shao, W., Liu, T., Ishimaru, N., Tang, B., & Kudo, Y. (2018). Aurora kinase inhibitors in head and neck cancer. Current Topics in Medicinal Chemistry, 18(3), 199–213. https://doi.org/10.2174/1568026618666180112163741
   PubMed Web of Science ®Google Scholar
• Reichardt, W., Jung, V., Brunner, C., Klein, A., Wemmert, S., Romeike, B. F. M., Zang, K. D., & Urbschat, S. (2003). The putative serine/threonine kinase gene STK15 on chromosome 20q13.2 is amplified in human gliomas. Oncology Reports, 10(5), 1275–1279.
   PubMed Web of Science ®Google Scholar
• Sardon, T., Cottin, T., Xu, J., Giannis, A., & Vernos, I. (2009). Development and biological evaluation of a novel aurora A kinase inhibitor. Chembiochem: A European Journal of Chemical Biology, 10(3), 464–478. https://doi.org/10.1002/cbic.200800600
   PubMed Web of Science ®Google Scholar
• Sargsyan, K., Grauffel, C., & Lim, C. (2017). How molecular size impacts RMSD applications in molecular dynamics simulations. Journal of Chemical Theory and Computation, 13(4), 1518–1524. https://doi.org/10.1021/acs.jctc.7b00028
   PubMed Web of Science ®Google Scholar
• Sells, T. B., Chau, R., Ecsedy, J. A., Gershman, R. E., Hoar, K., Huck, J., Janowick, D. A., Kadambi, V. J., LeRoy, P. J., Stirling, M., Stroud, S. G., Vos, T. J., Weatherhead, G. S., Wysong, D. R., Zhang, M., Balani, S. K., Bolen, J. B., Manfredi, M. G., & Claiborne, C. F. (2015). MLN8054 and alisertib (MLN8237): Discovery of selective oral aurora a inhibitors. ACS Medicinal Chemistry Letters, 6(6), 630–634. https://doi.org/10.1021/ml500409n
   PubMed Web of Science ®Google Scholar
• Seymour, J. F., Kim, D. W., & Rubin, E. (2014). A phase 2 study of MK-0457 in patients with BCR-ABL T315I mutant chronic myelogenous leukemia and Philadelphia chromosome-positive acute lymphoblastic leukemia. Blood Cancer Journal, 4, 238.
   PubMed Web of Science ®Google Scholar
• Shahbaaz, M., Nkaule, A., & Christoffels, A. (2019). Designing novel possible kinase inhibitor derivatives as therapeutics against Mycobacterium tuberculosis: An in silico study. Scientific Reports, 9(1), 2. https://doi.org/10.1038/s41598-019-40621-7
   PubMedGoogle Scholar
• Sorrentino, R., Libertini, S., Pallante, P. L., Troncone, G., Palombini, L., Bavetsias, V., Spalletti-Cernia, D., Laccetti, P., Linardopoulos, S., Chieffi, P., Fusco, A., & Portella, G. (2005). Aurora B overexpression associates with the thyroid carcinoma undifferentiated phenotype and is required for thyroid carcinoma cell proliferation. The Journal of Clinical Endocrinology and Metabolism, 90(2), 928–935. https://doi.org/10.1210/jc.2004-1518
   PubMed Web of Science ®Google Scholar
• Steinig, A. G., Mulvihill, M. J., Wang, J., Werner, D. S., Weng, Q., Coate, H., & Chen, X., inventors; OSI Pharmaceuticals LLC, assignee. (2012, May). 2-aminopyridine kinase inhibitors (United States Patent US 8,178,668). https://www.google.co.vi/patents/EP2325186A3
   Google Scholar
• Tari, L. W., Hoffman, I. D., Bensen, D. C., Hunter, M. J., Nix, J., Nelson, K. J., McRee, D. E., & Swanson, R. V. (2007). Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors. Bioorganic & Medicinal Chemistry Letters, 17(3), 688–691. https://doi.org/10.1016/j.bmcl.2006.10.086
   PubMed Web of Science ®Google Scholar
• Vasilevich, N. I., Tatarskiy, V. V., Aksenova, E. A., Kazyulkin, D. N., & Afanasyev, I. I. (2016). Search for potent and selective Aurora A inhibitors based on general Ser/Thr kinase pharmacophore model. Pharmaceuticals, 9(2), 19. Jhttps://doi.org/10.3390/ph9020019
   Web of Science ®Google Scholar
• Vianello, P. (2007). Aminopyridines: Selective AuroraA inhibitors. Expert Opinion on Therapeutic Patents, 17(2), 255–261. https://doi.org/10.1517/13543776.17.2.255
   Web of Science ®Google Scholar
• Wan, Y., He, S., Li, W., & Tang, Z. (2018). Indazole derivatives: Promising anti-tumor agents. Anti-Cancer Agents in Medicinal Chemistry, 18(9), 1228–1234. https://doi.org/10.2174/1871520618666180510113822
   PubMed Web of Science ®Google Scholar
• Wang, S., Midgley, C. A., Scaërou, F., Grabarek, J. B., Griffiths, G., Jackson, W., Kontopidis, G., McClue, S. J., McInnes, C., Meades, C., Mezna, M., Plater, A., Stuart, I., Thomas, M. P., Wood, G., Clarke, R. G., Blake, D. G., Zheleva, D. I., Lane, D. P., … Fischer, P. M. (2010). Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. Journal of Medicinal Chemistry, 53(11), 4367–4378. https://doi.org/10.1021/jm901913s
   PubMed Web of Science ®Google Scholar
• Wang, X.-J., Chen, Y.-D., Yang, Q., & You, Q.-D. (2007). The pharmacophore hypothesis of novel inhibitors for Aurora A kinase. Chinese Journal of Chemistry, 25(12), 1911–1918. https://doi.org/10.1002/cjoc.200790352
   Web of Science ®Google Scholar
• Wilkinson, R. W., Odedra, R., Heaton, S. P., Wedge, S. R., Keen, N. J., Crafter, C., Foster, J. R., Brady, M. C., Bigley, A., Brown, E., Byth, K. F., Barrass, N. C., Mundt, K. E., Foote, K. M., Heron, N. M., Jung, F. H., Mortlock, A. A., Boyle, F. T., & Green, S. (2007). AZD1152, a selective inhibitor of Aurora B kinase, inhibits human tumor xenograft growth by inducing apoptosis. Clinical Cancer Research, 13(12), 3682–3688. https://doi.org/10.1158/1078-0432.CCR-06-2979
   PubMed Web of Science ®Google Scholar
• Xu, Y., Hao, S. Y., Zhang, X. J., Li, W. B., Qiao, X. P., Wang, Z. X., & Chen, S. W. (2020). Discovery of novel 2,4-disubstituted pyrimidines as Aurora kinase inhibitors. Bioorganic & Medicinal Chemistry Letters, 30(3), 1268851https://doi.org/10.1016/j.bmcl.2019.126885
   PubMed Web of Science ®Google Scholar
• Yan, A., Wang, L., Xu, S., & Xu, J. (2011). Aurora-A kinase inhibitor scaffolds and binding modes. Drug Discovery Today, 16(5–6), 260–269. https://doi.org/10.1016/j.drudis.2010.12.003
   PubMed Web of Science ®Google Scholar
• Yang, K.-T., Li, S.-K., Chang, C.-C., Tang, C.-J C., Lin, Y.-N., Lee, S.-C., & Tang, T. K. (2010). Aurora-C kinase deficiency causes cytokinesis failure in meiosis I and production of large polyploid oocytes in mice. Molecular Biology of the Cell, 21(14), 2371–2383. https://doi.org/10.1091/mbc.e10-02-0170
   PubMed Web of Science ®Google Scholar
• Yingjun, Z., Bing, L., Jiancun, Z., Jiquan, Z., Xueqi, Y., Yanping, L. (2013). Substituted pyrimidine as aurora kinase inhibitor (Chinese patent WO2013143466A1). https://patents.google.com/patent/WO2013143466A1/sv.
   Google Scholar
• Zhou, H., Kuang, J., Zhong, L., Kuo, W. L., Gray, J. W., Sahin, A., Brinkley, B. R., & Sen, S. (1998). Tumour amplified kinase STK15/BTAK induces centrosome amplification, aneuploidy and transformation. Nature Genetics, 20(2), 189–193. https://doi.org/10.1038/2496
   PubMed Web of Science ®Google Scholar