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Study on the Interaction of Aconitine and Armyworm DNA by UV Spectroscopy and ITC Method |
LIU Ye1, ZHAO Wei-wei1, LI Zong-xiao1*, CHENG Hua-lei1, HE Huan2 |
1. College of Chemistry and Chemical Engineering, Baoji University of Arts and Sciences, Baoji 721013, China
2. College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China |
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Abstract DNA is a vector for the genetic information of organisms. It is important to study the interaction between drugs and DNA and to explore its reaction mechanism, the design and synthesis of new drugs. The dissolution behavior of aconitine in water was studied for the first time by microcalorimetry. By using isothermal titration calorimetry, UV-Vis Absorption Spectroscopy and molecular simulation, the interaction between aconitine and armyworm DNA, salmon sperm DNA and calf thymus DNA was discussed. The results showed that the dissolution process of aconitine in aqueous solution was a simple first-order reaction and t1/2=0.691 h. There were two types of combinations during interactions between aconitine and the three different DNAs. The type Ⅰ combination was found to bean enthalpy-driven process. The equilibrium constant of combination (Ka1) was larger with the value of about 105. The number of binding sites (n1) was 0.40~0.60. The reaction took place in the groove areas. With regard to type II combination, the values of Ka2 was 103, and n2 was larger than n1. Lower equilibrium constant of combination demonstrated that the drug ligands just reacted with DNA on the surface instead of entering into the interior of macromolecules. Molecular simulation studies showed that the combination of aconitine and three DNAs occurred in the groove areas. The hydrogen bondwas mainly interactions during interactions between aconitine and the three different DNAs, and the ester groups on the C8 of the aconitine molecule were related to the armyworm DNA, the salmon sperm DNA and the calf thymus DNA respectively. Their bases were specifically identified by T33, T34 and G16, C9, C8. The similarity between the calculated binding energy and the measured ΔG demonstrated that the theoretical calculations were consistent with the experimental results. It can be seen that there is good agreement between the theoretical calculations and experimental results in this work.
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Received: 2017-06-10
Accepted: 2017-11-06
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Corresponding Authors:
LI Zong-xiao
E-mail: mingtain8001@163.com
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[1] International Agency Research on Cancer (IARC). Monographs on the Evaluation of the Carcinogenic Risk to Humans, Vol. 84: Some Drinking-Water Disinfectants and Contaminants, Including Arsenic [M]. IARC, Lyon, 2004. 39.
[2] Cabello G, Valenzuela M, Vilaxa A, et al. Environ Health Perspect, 2001, 109(5): 471.
[3] Hu Xing, Zhang Guowen, Li Weibo, et al. J. Anal. Sci., 2010, 26(2): 195.
[4] ZHANG Guo-wen, WANG Jia-rong, YANG Jia, et al(张国文,汪佳蓉,杨 佳,等). J. Nanchang University(南昌大学学报), 2009, 33(5): 452.
[5] CHEN Xiao-ping, LI Bin, CHEN Xiao-bo, et al(陈小平,李 斌,陈小波,等). Forest Pest and Disease(中国森林病虫), 2007, 26(6): 31.
[6] WEN Yan-hua, FENG Zhi-xin, XU Han-hong, et al(文艳华,冯志新,徐汉虹,等). Journal of Huazhong Agricultural University(华中农业大学学报), 2001, 20(3): 235.
[7] LIU Chang-zhong, WANG Guo-li, KANG Tian-fang(刘长仲,王国利,康天芳). Plant Protection(植物保护), 2000, 26(6): 20.
[8] JIANG Hong-hua, WANG Xiao-ping, ZHANG De-yong(蒋宏华,王小平,张德永). Hubei Agricultural Sciences(湖北农业科学), 2001, (2): 37.
[9] Lü Mei-xiang, ZENG He-ping, WANG Xiao-juan, et al(吕梅香,曾和平,王晓娟,等). Chinese Journal of Pesiticides(农药学学报), 2004, 43 (6): 249.
[10] XU Yong-hua, SHU Shao-hua, WANG Mo(许勇华,舒少华,王 沫). Hubei Agricultural Sciences(湖北农业科学), 2007, 46(6): 1015.
[11] ZHANG Guo-yan, ZHAI Bao-ping(张国彦,翟保平). Acta Entomologica Sinica(昆虫学报),2009, 52:345.
[12] Wads I. Thermochim. Acta, 2002, 394:305.
[13] Li Zongxiao, Zhao Weiwei, Pu Xiaohua. Thermochimica Acta, 2012, 537:76.
[14] Debipreeta Bhowmik, Maidul Hossain, Franco Buzzetti, et al. J. Phys. Chem. B,2012, 116:2314.
[15] Vu H Le, Matthew R McGuire, Pooja Ahuja, et al. J. Phys. Chem. B,2015, 119:65.
[16] Haris P, Varughese Mary, Haridas M, et al. J. Chem. Inf. Model.,2015, 55:2644.
[17] Fadi Bou Abdallah, Samuel E Sprague, Britannia M Smith, et al. J. Chem. Thermodynamics, 2016, 103:299.
[18] Srikrishna Pramanik, Sabyasachi Chatterjee, Arindam Saha, et al. J. Phys. Chem. B,2016, 120:5313.
[19] Christine M, Timmer Nicole L, Michmerhuizen Amanda B, et al. J. Phys. Chem. B, 2014, 118(7): 1784.
[20] Arthia P, Shobanab S, Srinivasanc P, et al. Journal of Photochemistry and Photobiology B,2015, 153:247.
[21] Dipankar Dasa, Nilima Sahua, Sudipa Mondala, et al. Polyhedron,2015, 99:77.
[22] Ayaz Mahmood Dar, Urfi Ishrat, Zahid Yaseen, et al. Journal of Photochemistry and Photobiology B,2015, 148:340.
[23] Li Xuejie, Zheng Kang, Wang Lingdong, et al. Journal of Inorganic Biochemistry,2013, 128:97.
[24] Liu Jiawang, Zhao Ming, Qian Keduo, et al. Bioorganic & Medicinal Chemistry,2010, 18:1910.
[25] Zhai Qianqian, Xu Liang, Ge Yushu, et al. Chemistry a European Journal, 2011, 32:8753.
[26] Basu A, Kumar G S. Int. J. Biol. Macromol.,2013, 62:257. |
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