• 中国精品科技期刊
  • 中国高校百佳科技期刊
  • 中国中文核心期刊
  • 中国科学引文数据库核心期刊
Advanced Search
LU Jinrong, WANG Fengxiao, LI Yunman, YANG Yu, MO Rongzhen, WAN Yiwei, HUANG Wenlong. Synthesis, biological evaluation and 2D-QSAR study of a series of isoflavone derivatives as modulators of multidrug resistance[J]. Journal of China Pharmaceutical University, 2013, 44(4): 296-302. DOI: 10.11665/j.issn.1000-5048.20130402
Citation: LU Jinrong, WANG Fengxiao, LI Yunman, YANG Yu, MO Rongzhen, WAN Yiwei, HUANG Wenlong. Synthesis, biological evaluation and 2D-QSAR study of a series of isoflavone derivatives as modulators of multidrug resistance[J]. Journal of China Pharmaceutical University, 2013, 44(4): 296-302. DOI: 10.11665/j.issn.1000-5048.20130402

Synthesis, biological evaluation and 2D-QSAR study of a series of isoflavone derivatives as modulators of multidrug resistance

More Information
  • P-glycoprotein(P-gp)-mediated drug efflux from cells is believed to be an important mechanism in multidrug resistance(MDR)in cancer chemotherapy. Isoflavone derivatives may selectively antagonize P-gp in MDR cancer cells. Twenty-nine daidzein and genistein derivatives containing a basic chain at 7, 8, and 4′-position were synthesized and evaluated for their MDR reversal activity in vitro. MTT assay showed that most of the target compounds exhibited MDR reversal activity on human chronic myeloid leukemia cell line K562/A02 at different levels and compound 8b showed potent MDR reversal activity with the reversal fold(RF)value of 3. 74. The 2D-QSAR study was performed via MOE 2009 software with a training set of thirty-two isoflavone derivatives united from our previous work. The model yielded good results including high conventional correlation(r2)coefficients(0. 821)and cross-validated(q2)coefficients(0. 692)which are helpful for further structural optimizations of isoflavone derivatives for MDR reversal activity.
  • Related Articles

    [1]LIU Hengping, WANG Jinzheng, GAO Chengzhe, XU Bin, LI Qingran, LIN Xinhao, LIN Kejiang. Key fingerprint fragments of anti-hepatitis B virus agents using genetic function approximation method[J]. Journal of China Pharmaceutical University, 2014, 45(4): 405-409. DOI: 10.11665/j.issn.1000-5048.20140404
    [2]LIN Ke-jiang, HUANG Zhen-gui, HUANG Min, WANG Shu, HAN Mu-rui, LI Juan-li, TANG Yi-ming. 2D-QSAR studies of integrin αvβ3 antagonists[J]. Journal of China Pharmaceutical University, 2012, 43(6): 502-507.
    [3]LI Jia-bin, XUAN Wen-sheng, NIU Ju, JIANG Zhen-zhou, WANG Tao, XIA Lin. Synthesis,biological evaluation and 3D-QSAR study of 1-(1,4-benzodioxan-2-ylcaronyl)-4-aryloxyalkyl-piperazines as α1-adrenoceptor antagonists[J]. Journal of China Pharmaceutical University, 2010, 41(6): 499-504.
    [4]2D-QSAR and HQSAR study on quantitative structure-activity relationship of 6-O-aryl ketolides derivatives[J]. Journal of China Pharmaceutical University, 2010, 41(3): 208-215.
    [5]XUE Ling-jing, MIN Tao, SUN Min-jie, ZHANG Can, SUN Hong-bin. Synthesis and multidrug resistance reversal activity of 1-akyl-2-acetyl-1,2,3,4-tetrahydroisoquinoline derivatives[J]. Journal of China Pharmaceutical University, 2009, 40(5): 389-394.
    [6]QSAR Studies of Antitumor Inhibitors Lavendustin A Analogues[J]. Journal of China Pharmaceutical University, 2004, (6): 2-5.
    [7]From 3D to 5D:the development and application of quantitative structure-activity relationship (QSAR)[J]. Journal of China Pharmaceutical University, 2003, (6): 105-110.
    [8]WANG De-Chuan, ZHANG Yi-Hua, PENG Si-Xun, JI Nian-Ning. QSAR Study on 2,4-Diaryl-1,3-Dithiolane Thiourea and Isothiourea Compounds[J]. Journal of China Pharmaceutical University, 2002, (6).
    [9]Studies on the Bioactivity and QSAR of Some Benzopyran 4 one Oximes[J]. Journal of China Pharmaceutical University, 1998, (5): 6-10.
    [10]QSAR Study on Hypotensive Activity of Analogues of Pinacidil[J]. Journal of China Pharmaceutical University, 1997, (1): 1-4.

Catalog

    Article views (1598) PDF downloads (1875) Cited by()

    /

    DownLoad:  Full-Size Img  PowerPoint
    Return
    Return