Chinese Journal of Magnetic Resonance ›› 2015, Vol. 32 ›› Issue (3): 528-541.doi: 10.11938/cjmr20150314
Previous Articles Next Articles
WANG Yan-ni,JIN Qin,LI Hui-dan,WANG Chao-jie*
Received:
2014-11-04
Revised:
2015-07-30
Online:
2015-09-05
Published:
2015-09-05
About author:
*Corresponding author:WANG Chao-jie, Tel: +86+0577-86689708, E-mail: chjwang@wmu.edu.cn
Supported by:
国家自然科学基金资助项目(21177098)
CLC Number:
WANG Yan-ni,JIN Qin,LI Hui-dan,WANG Chao-jie*. Theoretical Calculation of Spectral Characteristics of Gefitinib[J]. Chinese Journal of Magnetic Resonance, 2015, 32(3): 528-541.
[1] Wang Xia(王霞). Reversing drug resistance of lung cancer, change the treatment of lung cancer predicament—interviewed Professor Zhou, director of respiration department, southwest hospital, third military medical university, Chongqing(逆转肺癌耐药, 改变肺癌治疗窘境—访重庆第三军医大学西南医院呼吸科主任周向东教授)[J]. Chinese Mod Med(中国当代医药), 2014, 21(17): 1-3. [2] Jin Hui(金慧). Research progress of EGFR-TKI in treatment of non-small cell lung cancer drug resistance mechanism(EGFR-TKI 治疗非小细胞肺癌耐药机制的研究进展)[J]. J Sun Yatsen Univ: Med Sci[中山大学学报(医学科学版)], 2009, 30(3S): 216-219. [3] Morgillo F, Kim W Y, Kim E S, et al. Implication of the insulin-like growth factor-IR pathway in the resistance of non-small cell lung cancer cells to treatment with Gefitinib[J]. Clin Cancer Res, 2007, 13(9): 2 795-2 803. [4] Ward R A, Anderton M J, Ashton S, et al. Structure- and reactivity-based development of covalent inhibitors of the activating and gatekeeper mutant forms of the epidermal growth factor receptor(EGFR)[J]. J Med Chem, 2013, 56(17): 7 025-7 048. [5] Wu Jin-zhi(吴金枝), Li Ning(李宁). Small molecule tyrosine kinase inhibitors in the treatment of 27 cases with advanced non squamous cell lung cancer(小分子酪氨酸激酶抑制剂治疗27 例晚期非鳞状细胞肺癌临床观察)[J]. Guizhou Med J(贵州医药), 2013, 37(10): 904-906. [6] Rasmussen H S, MeCann P P. Metalloproteinase inhibitors as a novel anticancer: A review with special focus on batimastat and marimastat[J]. Pharmaeol Ther, 2005, 75(1): 69-75. [7] Cheng Gang(程刚). Iressa research progress in non-small cell lung cancer(易瑞沙在非小细胞肺癌的研究进展)[J]. Chinese J Clin Oncol(中国肿瘤临床), 2005, 32(23): 1 375-1 378. [8] Kim Y, Li Z, Apetri M, et al. Temporal resolution of autophosphorylation for normal and oncogenic forms of EGFR and differential effects of gefitinib[J]. Biochem, 2012, 51(25): 5 212-5 222. [9] Han Yu (韩宇), Xu Jian-ming(徐建明), Duan Hai-qing(段海清), et al. The relationship between EGFR gene mutation and curative effect and prognosis of Gefitinib in treatment of advanced non-small cell lung cancer(EGFR基因突变与吉非替尼治疗晚期非小细胞肺癌的疗效和预后的关系)[J]. Chinese J Oncol(中华肿瘤杂志), 2007, 29(4): 278-283. [10] Kim K S, Jeong J Y, Kim Y C, et al. Predictors of the response to Gefitinib in refractory non-small cell lung cancer[J]. Clin Cancer Res, 2005, 11(6): 2 244-2 251. [11] Tokumo M, Toyooka S, Kiura K, et al. The relationship between epidermal growth factor receptor mutations and clinicopathologic features in non-small cell lung cancers[J]. Clin Cancer Res, 2005, 11(3): 1 167-1 173. [12] Chang C Y, Shen C C, Su H L, et al. Gefitinib induces apoptosis in human glioma cells by targeting bad phosphorylation[J]. J Neuro-Oncol, 2011, 105(3): 507-522. [13] Zhu Jing(朱静). Clinical analysis of 45 cases of Gefitinib in treatment of advanced non-small cell lung cancer(吉非替尼治疗45 例晚期非小细胞肺癌的临床分析)[J]. J Med Theory ? Prac(医学理论与实践), 2011, 24(11): 1 248-1 250. [14] Lv Zhen(吕真), Ni Guo-hua(倪国华). The clinical observation of Gefitinb third-line treatment of advanced non-small cell lung cancer(吉非替尼三线治疗晚期非小细胞肺癌临床观察)[J]. The Prac J Cancer(实用癌症杂志), 2010, 25(5): 528-529. [15] Ochs J, Grous J J, Warner K L, et al. Final survival and safety results for 21064 non-small cell lung cancer (NSCLC) patients who received compassionate use Gefitinib in a U.S expanded access program (EAP)[J]. Proc Am Soc Clin Oncol, 2004, 23: 628. [16] West H, Franklin W A. Gumerlock P H, et al. Gefitinib therapy for advanced bronchioalverlar lung cancer(BAC): Southwest oncology group (SWOG) study S0126[J]. Proc Am Soc Clin Oncol, 2004, 23: 618. [17] Carlson R W, O'Neill A, Vidaurre T, et al. A randomized trial of combination anastrozole plus gefitinib and of combination fulvestrant plus gefitinib in the treatment of postmenopausal women with hormone receptor positive metastatic breast cancer[J]. Brest Cancer Res Treat, 2012, 133(3): 1 049-1 056. [18] Casado J, Ortiz R P, Delgado M C R, et al. Multidisciplinary physicochemical analysis of oligothiophenes end-capped by nitriles: electrochemistry, UV-Vis-Near-IR, IR, and Raman spectroscopies and quantum chemistry[J]. J Phys Chem B, 2005, 109: 10 115-10 125. [19] Kronja O, Kohli T P, Mayr H, et al. The structure of the nonamethylcyclopentyl cation[J]. J Am Chem Soc, 2000, 122: 8 067-8 070. [20] Wu H S, Xu X H, Jiao H J. Structure and stability of C48 fullerenes[J]. J Phys Chem A, 2004, 108: 3 813-3 816. [21] Simoes R G, Bernardes C E, Diogo H P, et al. Energetics and structure of simvastatin[J]. Mol Pharmaceut, 2013, 10(7): 2 713-2 722. [22] Wang D J, Zhao X J, Vargek M, et al. Metal-Bound histidine modes in UV resonance Raman spectra of Cu, Zn superoxide dismutase[J]. J Am Chem Soc, 2000, 122: 2 193-2 199. [23] Marlies K, Van B, Smets J, et al. Matrix-isolation ftir studies and theoretical calculations of hydrogen-bonded complexes of imidazole. A comparison between experimental results and different calculation methods[J]. J Phys Chem A, 1997, 101: 2 397-2 413. [24] Wang Ling-yun(王凌云), Yang Ming-hui(杨明晖). Quantum chemical calculation on 1H NMR shifts of a AT1 receptor antagonist valsartan(AT1 受体拮抗剂缬沙坦化学位移的量子化学计算研究)[J]. Chinese J Magn Reson(波谱学杂志), 2012, 29(4): 530-536. [25] Gao H W, Wei X J, Liu X T, et al. Comparison of different theory models and basis sets in the calculations of structures and 13C NMR Spectra of [Pt(en)(CBDCA−O, O')], an analogue of the antitumor drug carboplatin[J]. J Phys Chem B, 2010, 114(11): 4 056-4 062. [26] Anderson J A, Tschumper G S. Characterizing the potential energy surface of the water dimer with DFT: Failures of some popular functionals for hydrogen bonding[J]. J Phys Chem A, 2006, 110: 7 268-7 271. [27] Torrent S M, Anglada J M, Luis J M. Evaluation of the nonlinear optical properties for annulenes with Hückel and Möbius topologies[J]. J Chem Theory Comput, 2011, 7(12): 3 935-3 943. [28] Aragó J, Sancho-García J C, Ortí E, et al. Ab initio modeling of donor–acceptor interactions and charge-transfer excitations in molecular complexes: The case of terthiophene–tetracyanoquinodimethane[J]. J Chem Theory Comput, 2011, 7(7): 2 068-2 077. [29] Stendardo E, Avila F F, Santoro F, et al. Vibrationally resolved absorption and emission spectra of dithiophene in the gas phase and in solution by first-principle quantum mechanical calculations[J]. J Chem Theory Comput, 2012, 8(11): 4 483-4 493. [30] Zhang Rui-qin(张瑞勤), Bu Yu-xiang(步宇翔), Li Shu-tang(李述汤). A available method of ab initio basis functions(一种选择从头算基函数的有效方法)[J]. Science China[中国科学(B辑)], 2000, 30(5): 419-427. [31] Wang X L, Liu J, Qiao J P, et al. Face hallucination based on csgt and pca[J]. Lect Notes Comput Sc, 2008, 5 264: 410-418. [32] Siehl H U. The interplay between experiment and theory: Computational NMR spectroscopy of carbocations[J]. Adv Phys Org Chem, 2007, 42: 125-165. [33] Harding M E, Gauss J, Schleyer P. Why benchmark-quality computations are needed to reproduce 1-adamantyl cation NMR chemical shifts accurately[J]. J Phys Chem A, 2011, 115(11): 2 340-2 344. [34] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 09, Revision A.01. [CP/DK]. Wallingford, CT: Gaussian Inc, 2009. [35] Roy T K, Carrington T, Gerber R B. Approximate first-principles anharmonic calculations of polyatomic spectra using MP2 and B3LYP potentials: Comparisons with experiment[J]. J Phys Chem A, 2014, 118(33): 6 730-6 739. [36] Yuan Li(袁立). Study on Synthesis of Iressa and Derivatives(Iressa及其衍生物的合成研究)[D]. Shenyang Pharmaceutical University(沈阳药科大学), 2005. [37] Malik M, Wysokiński R, Zierkiewicz W, et al. Raman and infrared spectroscopy, DFT calculations, and vibrational assignment of the anticancer agent picoplatin: Performance of long-range corrected/hybrid functionals for a platinum(II) complex[J]. J Phys Chem A, 2014, 118(34): 6 922-6 934. [38] Ricardo R, Ternavisk Ademir J, Camargo Francisco B C, et al. Synthesis, characterization, and computational study of a new dimethoxy-chalcone[J]. J Mol Model, 2014, 20(12): 2 526-2 536. [39] Meng Ling-zhi(孟令芝), Gong Shu-ling(龚淑玲), He Yong-bing(何永炳). Organic Spectral Analysis(有机波谱分析)[M]. Third Edition(第三版). Wuhan(武汉): Wuhan University Press(武汉大学出版社), 2010. [40] Chin K T, Wei Y H, Pao L Y, et al. Photo-physical properties of N-methyl-3, 4-fulleropyrrolidine and its derivatives: A DFT and TD-DFT investigation[J]. J Chin Chem Soc, 2013, 60(3): 251-260. [41] Chen Mu-zi(陈木子), Wang Lu(王璐), Zhang Hai-lu(张海禄), et al. NMR study of targeted drug Gefitinib(靶向新药吉非替尼的核磁共振波谱研究)[J]. Chinese J Magn Reson(波谱学杂志), 2011, 28(3): 413-418. [42] Günay N, Tarcan E, Avcinodot D, et al. Calculated on 1H and 13C NMR chemical shifts of 2,4-difluorobenzaldehyde isonicotinoylhydrazone and 2,3-dichlorobenzaldehyde isonicotinoylhydrazone with GIAO, IGIAM, and CSGT models[J]. Concept Magn Reson Part A, 2009, 34A(5): 297-304. |
[1] | YU Zhi-hui, YAN Shi-dong, MING Gang, MEI Gang-hua, ZHONG Da. A High-Precision Frequency Adjustment Circuit for Miniaturized Rubidium Atomic Clocks [J]. Chinese Journal of Magnetic Resonance, 2019, 36(1): 103-112. |
[2] | WEN Peng-jie, SU Peng, WANG Hao, HU Liang, LIN Kun-zhang, ZHU Xu-tao, QIU Yu-xiang, ZHENG Ning, ZHANG Zhi-jian, XU Fu-qiang. Labeling Fine Morphology of Neurons with Specific Cell Types and Specific Projection Using Vesicular Stomatitis Virus [J]. Chinese Journal of Magnetic Resonance, 2018, 35(3): 353-362. |
[3] | ZHANG Shi-mao, ZHANG Shao-nan, GE Xiang, WU Jian-meng. Optimal Design and Application of Two-Dimensional NMR Logging in Chuanxi Tight Gas Reservoir [J]. Chinese Journal of Magnetic Resonance, 2018, 35(2): 234-242. |
[4] | JIANG Dan, WANG Wei, BI Qian-nan, SU Dan-dan. Spectral Analysis of a 1,4-Thiazinamide FKBPs Ligand [J]. Chinese Journal of Magnetic Resonance, 2018, 35(2): 204-214. |
[5] | ZHU Xu-tao, HE Xiao-bin, LIU Yue, WEN Peng-jie, WANG Li, ZHANG Zhi-jian, XU Fu-qiang. A Convenient Semi-Automatic Method for Analyzing Brain Sections: Registration, Segmentation and Cell Counting [J]. Chinese Journal of Magnetic Resonance, 2018, 35(2): 133-140. |
[6] | ZHOU Zhong-gao, YUAN Yang-yang, HUANG Li, LIU Jin-xiang, XIE Yong-rong. Spectral Analysis of Glucose-Based Chiral N-heterocyclic Carbene Precursors [J]. Chinese Journal of Magnetic Resonance, 2018, 35(2): 215-225. |
[7] | CHAI Xin, SUN Peng, YUAN Bin, XIAO Xiong-jie, ZHANG Xu, LIU Mai-li. Fast Detection of Choline Containing Compounds in Dairy Products Using NMR [J]. Chinese Journal of Magnetic Resonance, 2018, 35(2): 178-187. |
[8] | FAN Hong-yu. Spectral Analyses of a Novel Ibuprofen-Phillygenin Ester [J]. Chinese Journal of Magnetic Resonance, 2018, 35(1): 98-108. |
[9] | JI Xiao-long, YU Shui-tao, CHEN Zai-xin. Spectral Analyses of Ecabet Sodium [J]. Chinese Journal of Magnetic Resonance, 2018, 35(1): 109-118. |
[10] | SUN Li-juan, HU Xiao-fang, CHENG Xun, LUO Li-ting, LIU Hong-bing, CHEN Lei. NMR Characterization of Flavanone Naringenin 7-O-Glycoside Diastereomer [J]. Chinese Journal of Magnetic Resonance, 2017, 34(4): 465-473. |
[11] | HUANG Zheng, YAN Shi-dong, MEI Gang-hua, ZHONG Da. Design and Implementation of a New Frequency Synthesizer for Rubidium Atomic Frequency Standard [J]. Chinese Journal of Magnetic Resonance, 2017, 34(4): 481-488. |
[12] | HUANG Xiao-qian, ZHAO Le-le, CHEN Li-yong, XU Jian, CHEN Qun. Accelerated Cardiac CINE Imaging with CAIPIRINHA and Partial Parallel Acquisition [J]. Chinese Journal of Magnetic Resonance, 2017, 34(3): 283-293. |
[13] | FAN Kai, GUO Jun-wang, ZOU Jie-rui, CONG Jian-bo, MA Lei, DONG Guo-fu, WU Ke. An EPR Modulation Magnetic Field Driving Device for in Vivo Tooth Dosimetry [J]. Chinese Journal of Magnetic Resonance, 2017, 34(3): 365-371. |
[14] | ZHUANG Xiao-xing, MA Ling-ceng, CAI Cong-bo, CHEN Zhong. An Image Reconstruction Algorithm for Spiral MRI Based on Spatio-Temporal Transform and Compressed Sensing [J]. Chinese Journal of Magnetic Resonance, 2016, 33(4): 549-558. |
[15] | LI Yu-wei, XIAO Liang. A Radio Frequency Pulse Generator for Magnetic Resonance Imaging Based on FPGA and DDS [J]. Chinese Journal of Magnetic Resonance, 2016, 33(4): 590-596. |
Viewed | ||||||
Full text |
|
|||||
Abstract |
|
|||||