Quantitative structural rearrangement of HIV-1 reverse transcriptase on binding to non-nucleoside inhibitors

被引:8
|
作者
Lawtrakul, L
Beyer, A
Hannongbua, S
Wolschann, P
机构
[1] Thammasat Univ, SIIT, Dept Common & Grad Studies, Pathum Thani 12121, Thailand
[2] Res Inst Mol Pathol, A-1030 Vienna, Austria
[3] Kasetsart Univ, Fac Sci, Dept Chem, Bangkok 10900, Thailand
[4] Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
来源
MONATSHEFTE FUR CHEMIE | 2004年 / 135卷 / 08期
关键词
HIV-1 reverse transcriptase; non-nucleoside inhibitors; protein-ligand interactions;
D O I
10.1007/s00706-004-0172-z
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The crystal structures of HIV-1 reverse transcriptase (RT) and some of its inhibitor complexes have been compared quantitatively with respect to backbone and side chain dihedral angles. Furthermore distances between inhibitor molecules and surrounding amino acids have been analyzed in detail. The calculation of the conformation for all structures allows us to determine quantitative structural changes of HIV-1 RT on binding to NNIs or to RNA/DNA.
引用
收藏
页码:1033 / 1046
页数:14
相关论文
共 50 条
  • [31] Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase
    Dodda, Leela S.
    Tirado-Rives, Julian
    Jorgensen, William L.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 123 (08): : 1741 - 1748
  • [32] Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors: A Combinatorial Approach
    Valuev-Elliston, V. T.
    Kochetkov, S. N.
    BIOCHEMISTRY-MOSCOW, 2017, 82 (13) : 1716 - 1743
  • [33] Systematic investigation of non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs)
    Beyer, A
    Lawtrakul, L
    Hannongbua, S
    Wolschann, P
    MONATSHEFTE FUR CHEMIE, 2004, 135 (08): : 1047 - 1059
  • [34] Novel HIV-1 non-nucleoside reverse transcriptase inhibitors: A combinatorial approach
    V. T. Valuev-Elliston
    S. N. Kochetkov
    Biochemistry (Moscow), 2017, 82 : 1716 - 1743
  • [35] The role of nucleic acid in the resistance of HIV-1 reverse transcriptase to nucleoside and non-nucleoside inhibitors
    Arnold, E
    Das, K
    Ding, JP
    Hsiou, Y
    Tantillo, C
    Roy, BM
    Yadav, P
    Zhang, WY
    Lentz, K
    Clark, AD
    Boyer, PL
    Hughes, SH
    Mitsuya, H
    Mellors, J
    Kleim, JP
    Rosner, M
    Moereels, HR
    Koymans, L
    Andries, K
    Pauwels, R
    Janssen, PAJ
    JOURNAL OF ACQUIRED IMMUNE DEFICIENCY SYNDROMES AND HUMAN RETROVIROLOGY, 1995, 10 : 7 - 7
  • [36] Discovery of potent HIV-1 non-nucleoside reverse transcriptase inhibitors from arylthioacetanilide structural motif
    Li, Wenxin
    Li, Xiao
    De Clercq, Erik
    Zhan, Peng
    Liu, Xinyong
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2015, 102 : 167 - 179
  • [37] Structural modifications of CH(OH)-DAPYs as new HIV-1 non-nucleoside reverse transcriptase inhibitors
    Yan, Zi-Hong
    Huang, Xia-Yun
    Wu, Hai-Qiu
    Chen, Wen-Xue
    He, Qiu-Qin
    Chen, Fen-Er
    De Clercq, Erik
    Pannecouque, Christophe
    BIOORGANIC & MEDICINAL CHEMISTRY, 2014, 22 (08) : 2535 - 2541
  • [38] Effect of non-nucleoside reverse transcriptase inhibitors on the HIV-1 reverse transcriptase associated ribonuclease H activity
    Tramontano, E
    Esposito, F
    Piras, A
    La Colla, P
    ANTIVIRAL RESEARCH, 2005, 65 (03) : A51 - A51
  • [39] Diarylaniline Derivatives as a Distinct Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors
    Qin, Bingjie
    Jiang, Xingkai
    Lu, Hong
    Tian, Xingtao
    Barbault, Florent
    Huang, Li
    Qian, Keduo
    Chen, Chin-Ho
    Huang, Rong
    Jiang, Shibo
    Lee, Kuo-Hsiung
    Xie, Lan
    JOURNAL OF MEDICINAL CHEMISTRY, 2010, 53 (13) : 4906 - 4916
  • [40] Biophysical Insights into the Inhibitory Mechanism of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors
    Schauer, Grant
    Leuba, Sanford
    Sluis-Cremer, Nicolas
    BIOMOLECULES, 2013, 3 (04): : 889 - 904