Experimental and molecular docking studies on DNA binding interaction of adefovir dipivoxil: Advances toward treatment of hepatitis B virus infections
作者： Nahid Shahabadi , Monireh Falsafi
DOI: 10.1016/J.SAA.2014.01.066
关键词:
摘要: The toxic interaction of adefovir dipivoxil with calf thymus DNA (CT-DNA) was investigated in vitro under simulated physiological conditions by multi-spectroscopic techniques and molecular modeling study. fluorescence spectroscopy UV absorption indicated drug interacted CT-DNA a groove binding mode. constant UV-visible the number sites were 3.33±0.2×10(4) L mol(-1)and 0.99, respectively. fluorimetric studies showed that reaction between is exothermic (ΔH=34.4 kJ mol(-1); ΔS=184.32 J mol(-1) K(-1)). Circular dichroism (CD) employed to measure conformational change presence dipivoxil, which verified Furthermore, induces detectable changes its viscosity. results illustrated strongly binds relative energy docked structure -16.83 mol(-1). This combination multiple spectroscopic methods can be widely used investigation on small pollutants drugs bio macromolecules, contributes clarify mechanism toxicity or side effect vivo.
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sci-hub.se 参考文章(25)
Jin-Gang Liu, Bao-Hui Ye, Hong Li, Qi-Xiong Zhen, Liang-Nian Ji, Yao-Hong Fu, Polypyridyl ruthenium(II) complexes containing intramolecular hydrogen-bond ligand: syntheses, characterization, and DNA-binding properties Journal of Inorganic Biochemistry. ,vol. 76, pp. 265- 271 ,(1999) , 10.1016/S0162-0134(99)00154-3
J. Barton, Metals and DNA: molecular left-handed complements Science. ,vol. 233, pp. 727- 734 ,(1986) , 10.1126/SCIENCE.3016894
Sona Niroomand, Mozhgan Khorasani-Motlagh, Meissam Noroozifar, Asieh Moodi, Spectroscopic studies on the binding of holmium-1,10-phenanthroline complex with DNA. Journal of Photochemistry and Photobiology B-biology. ,vol. 117, pp. 132- 139 ,(2012) , 10.1016/J.JPHOTOBIOL.2012.09.015
Kai Chen, S. James Adelstein, Amin I. Kassis, Molecular modeling of the interaction of iodinated Hoechst analogs with DNA: implications for new radiopharmaceutical design Journal of Molecular Structure: THEOCHEM. ,vol. 711, pp. 49- 56 ,(2004) , 10.1016/J.THEOCHEM.2004.08.032
R. Vijayabharathi, P. Sathyadevi, P. Krishnamoorthy, D. Senthilraja, P. Brunthadevi, S. Sathyabama, V. Brindha Priyadarisini, Interaction studies of resistomycin from Streptomyces aurantiacus AAA5 with calf thymus DNA and bovine serum albumin Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ,vol. 89, pp. 294- 300 ,(2012) , 10.1016/J.SAA.2011.12.072
Zhi-Qiang Liu, Yan-Tuan Li, Zhi-Yong Wu, Shu-Fang Zhang, [Cu4(H2O)4(dmapox)2(btc)]n · 10nH2O: The first two-dimensional polymeric copper(II) complex with bridging μ-trans-oxamidate and μ4-1,2,4,5-benzentetracarboxylato ligands: Synthesis, crystal structure and DNA binding studies Inorganica Chimica Acta. ,vol. 362, pp. 71- 77 ,(2009) , 10.1016/J.ICA.2008.03.023
Ihtshamul Haq, John Ladbury, Drug-DNA recognition: energetics and implications for design. Journal of Molecular Recognition. ,vol. 13, pp. 188- 197 ,(2000) , 10.1002/1099-1352(200007/08)13:4<188::AID-JMR503>3.0.CO;2-1
Emma M. Proudfoot, Joel P. Mackay, Peter Karuso, Probing site specificity of DNA binding metallointercalators by NMR spectroscopy and molecular modeling. Biochemistry. ,vol. 40, pp. 4867- 4878 ,(2001) , 10.1021/BI001655F
Stephen J. Lippard, Platinum complexes: probes of polynucleotide structure and antitumor drugs Accounts of Chemical Research. ,vol. 11, pp. 211- 217 ,(1978) , 10.1021/AR50125A006
P. Dervan, Design of sequence-specific DNA-binding molecules Science. ,vol. 232, pp. 464- 471 ,(1986) , 10.1126/SCIENCE.2421408