A flavonoid gossypin binds to cyclin-dependent kinase 2

被引：16
|
作者：
Kim, Hojung [1 ]
Lee, Eunjung [1 ]
Kim, Jihye [1 ]
Jung, Bora [1 ]
Chong, Youhoon [1 ]
Alm, Joong-Hoon [1 ]
Lim, Yoongho [1 ]
机构：
[1] Konkuk Univ, Dept Biosci & Biotechnol, BMIC, Kwangjin Ku, Seoul 143701, South Korea
来源：
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2008年 / 18卷 / 02期
关键词：
cyclin-dependent kinase 2; flavonoids; gossypin; QSAR;
D O I：
10.1016/j.bmcl.2007.11.066
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
Flavonoids have low toxicity and mild activity. In order to find flavonoids showing cyclin-dependent kinase 2 (CDK2) binding effects, 347 flavonoid derivatives were docked into the crystal structure of the CDK2. The docking study showed that gossypin has a good conformational match with CDK2, which was confirmed by the binding affinity assay using NMR experiments. (c) 2007 Elsevier Ltd. All rights reserved.
引用
收藏
页码：661 / 664
页数：4
相关论文
共 28 条
  • [1] Flavopiridol: the First Cyclin-Dependent Kinase Inhibitor in Human Clinical Trials
    Adrian M. Senderowicz
    Investigational New Drugs, 1999, 17 : 313 - 320
  • [2] Flavopiridol: the first cyclin-dependent kinase inhibitor in human clinical trials
    Senderowicz, AM
    INVESTIGATIONAL NEW DRUGS, 1999, 17 (03) : 313 - 320
  • [3] Binding patterns of derivatives of fisetin and chrysin to the enzyme complex cyclin-dependent kinase 6/cyclin D
    Sarma, Srutishree
    Gour, Nand Kishor
    Dowerah, Dikshita
    Begum, Saheen Shehnaz
    Deka, Ramesh Chandra
    THEORETICAL CHEMISTRY ACCOUNTS, 2023, 142 (11)
  • [4] Binding patterns of derivatives of fisetin and chrysin to the enzyme complex cyclin-dependent kinase 6/cyclin D
    Srutishree Sarma
    Nand Kishor Gour
    Dikshita Dowerah
    Saheen Shehnaz Begum
    Ramesh Chandra Deka
    Theoretical Chemistry Accounts, 2023, 142
  • [5] Quantitative Structure-Activity Relationships of Cyclin-Dependent Kinase 1 Inhibitors
    Zakharov, A. V.
    Lagunin, A. A.
    Filimonov, D. A.
    Poroikov, V. V.
    BIOCHEMISTRY MOSCOW-SUPPLEMENT SERIES B-BIOMEDICAL CHEMISTRY, 2007, 1 (01) : 17 - 28
  • [6] 3D-QSAR CoMFA study on aminothiazole derivatives as cyclin-dependent kinase 2 inhibitors
    Dessalew, Nigus
    Bharatam, Prasad V.
    Singh, Sanjeev Kumar
    QSAR & COMBINATORIAL SCIENCE, 2007, 26 (01): : 85 - 91
  • [7] Quantitative structure-activity relationships of cyclin-dependent kinase 1 inhibitors
    A. V. Zakharov
    A. A. Lagunin
    D. A. Filimonov
    V. V. Poroikov
    Biochemistry (Moscow) Supplement Series B: Biomedical Chemistry, 2007, 1 (1) : 17 - 28
  • [8] 2D Autocorrelation Modelling of the Inhibitory Activity of Cytokinin-Derived Cyclin-Dependent Kinase Inhibitors
    Maykel Pérez González
    Julio Caballero
    Aliuska Morales Helguera
    Miguel Garriga
    Gerardo González
    Michael Fernández
    Bulletin of Mathematical Biology, 2006, 68 : 735 - 751
  • [9] 2D autocorrelation modelling of the inhibitory activity of cytokinin-derived cyclin-dependent kinase inhibitors
    Gonzalez, Maykel Perez
    Caballero, Julio
    Morales Helguera, Aliuska
    Garriga, Miguel
    Gonzalez, Gerardo
    Fernandez, Michael
    BULLETIN OF MATHEMATICAL BIOLOGY, 2006, 68 (04) : 735 - 751
  • [10] Targeting the cyclin-dependent kinase family in anticancer drug discovery: From computational to experimental studies
    Solanki, Priyanka
    Sarwadia, Shubhangi
    Athar, Mohd
    Jha, Prakash C.
    Manhas, Anu
    CHEMICAL PHYSICS IMPACT, 2024, 9
123