盐酸拓扑替康与人血清白蛋白的相互作用及分子模拟

doi:10.3866/PKU.WHXB20061205

Acta Phys. -Chim. Sin. ›› 2006, Vol. 22 ›› Issue (12): 1456-1459.doi: 10.3866/PKU.WHXB20061205

• ARTICLE • Previous Articles Next Articles

Molecular Simulation and Interaction between Human Serum Albumin and Topotecan Hydrochloride

LIU Yong-Ming;LI Gui-Zhi;SONG Wan-Kun;WANG Jin-Jun

(College of Chemistry, Yantai University, Yantai 264005, P. R. China)

Received:2006-05-08 Revised:2006-06-29 Published:2006-12-06
Contact: LIU Yong-Ming E-mail:liuyongming100@126.com

Abstract

Abstract: The binding reaction between topotecan hydrochloride (THC) and human serum albumin (HSA) was studied by fluorescence and UV-Vis absorption spectra. The binding equilibrium constant, number of binding site and thermodynamic parameters were calculated. The distance between the binding site and tryptophan residue is 3.63 nm. The study of molecular simulation indicated that topotecan hydrochloride bound within the subdomain IIA of human serum albumins and the interaction between topotecan hydrochloride and HSA was dominated by hydrophobic force. In addition, both the residues Ala-291 and Asp-256 of HSA formed hydrogen bonds with topotecan hydrochloride, respectively.

Key words: THC, HAS, Fluorescence quenching, Binding reaction, Molecular simulation

LIU Yong-Ming;LI Gui-Zhi;SONG Wan-Kun;WANG Jin-Jun. Molecular Simulation and Interaction between Human Serum Albumin and Topotecan Hydrochloride[J].Acta Phys. -Chim. Sin., 2006, 22(12): 1456-1459.

[1]	Yang Ge, Xulin Mu, Yue Lu, Manling Sui. Photoinduced Degradation of Lead Halide Perovskite Thin Films in Air [J]. Acta Physico-Chimica Sinica, 2020, 36(8): 1905039-0.
[2]	Feixiang Ding,Fei Gao,Xiaohui Rong,Kai Yang,Yaxiang Lu,Yong-Sheng Hu. Mixed-Phase Na_0.65Li_0.13Mg_0.13Ti_0.74O₂ as a High-Performance Na-Ion Battery Layered Anode [J]. Acta Physico-Chimica Sinica, 2020, 36(5): 1904022-0.
[3]	Yi Ji, Lixin Liang, Changmiao Guo, Xinhe Bao, Tatyana Polenova, Guangjin Hou. Zero-Quantum Homonuclear Recoupling Symmetry Sequences in Solid-State Fast MAS NMR Spectroscopy [J]. Acta Physico-Chimica Sinica, 2020, 36(4): 1905029-0.
[4]	Sirui Liu,Hui Quan,Hao Tian,Rui Zhou,Lijiang Yang,Yiqin Gao. 1D Sequence Based 3D Chromatin Phase Separation: Forces, Processes, and Functions [J]. Acta Physico-Chimica Sinica, 2020, 36(1): 1907010-0.
[5]	Changsheng Zhang,Luhua Lai. Physiochemical Mechanisms of Biomolecular Liquid-Liquid Phase Separation [J]. Acta Physico-Chimica Sinica, 2020, 36(1): 1907053-0.
[6]	Yingjie FENG, Jinping WANG, Lili LIU, Xidong WANG. Self-Conversion from ZnO Nanorod Arrays to Tubular Structures and Their Applications in Nanoencapsulated Phase-Change Materials [J]. Acta Physico-Chimica Sinica, 2019, 35(6): 644-650.
[7]	Qiang LIU,Xiaoshan WANG,Jialiang WANG,Xiao HUANG. Spatially Controlled Two-dimensional Heterostructures via Solution-phase Growth [J]. Acta Physico-Chimica Sinica, 2019, 35(10): 1099-1111.
[8]	Jingyuan ZHOU,Jin ZHANG,Zhongfan LIU. Advanced Progress in the Synthesis of Graphdiyne [J]. Acta Phys. -Chim. Sin., 2018, 34(9): 977-991.
[9]	Jie HAN,Qiuju LIANG,Yi QU,Jiangang LIU,Yanchun HAN. Morphology Control of Non-fullerene Blend Systems Based on Perylene [J]. Acta Phys. -Chim. Sin., 2018, 34(4): 391-406.
[10]	Andrés CEDILLO,Pietro CORTONA. Effect of Pressure on Cesium Iodide Band Gap [J]. Acta Phys. -Chim. Sin., 2018, 34(2): 208-212.
[11]	Jun YUAN,Ye LIU,Can ZHU,Ping SHEN,Meixiu WAN,Liuliu FENG,Yingping ZOU. Asymmetric Quinoxaline-Based Polymer for High Efficiency Non-Fullerene Solar Cells [J]. Acta Phys. -Chim. Sin., 2018, 34(11): 1272-1278.
[12]	Di YIN,Zongyang QIU,Pai LI,Zhenyu LI. A Molecular Dynamics Study of Carbon Dimerization on Cu(111) Surface with Optimized DFTB Parameters [J]. Acta Phys. -Chim. Sin., 2018, 34(10): 1116-1123.
[13]	Peng CUI,Hai LIU,Xue-Min YU,Qing XIA,Qing-Song LI. Measurement and Correlation of Liquid-Liquid Equilibrium Data for the Water+Cyclohexanone+Methyl Isobutyl Ketone Ternary System [J]. Acta Phys. -Chim. Sin., 2018, 34(1): 65-72.
[14]	Ling-Xuan WANG,Hua-Tong ZHU,Li-Li ZU. Studying ionization and decomposition mechanism of alkyl dinitrites by mass spectrometry [J]. Acta Phys. -Chim. Sin., 2017, 33(8): 1709-1714.
[15]	Hui WANG,De-Chun ZOU. Polyol-Mediated Synthesis of MoS₂ Nanosheets Using Sulfur Powder as the Sulfur Source [J]. Acta Phys. -Chim. Sin., 2017, 33(5): 1027-1032.

Molecular Simulation and Interaction between Human Serum Albumin and Topotecan Hydrochloride

PDF (PC)

Like

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Metrics

Comments

Recommended 0