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
  • [21] Lead Optimization of Diarylpyrimidines as Non-nucleoside Inhibitors of HIV-1 Reverse Transcriptase
    Zeng, Zhao-Sen
    Liang, Yong-Hong
    Feng, Xiao-Qing
    Chen, Fen-Er
    Pannecouque, Christophe
    Balzarini, Jan
    De Clercq, Erik
    CHEMMEDCHEM, 2010, 5 (06) : 837 - 840
  • [22] Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
    Chong, Pek
    Sebahar, Paul
    Youngman, Michael
    Garrido, Dulce
    Zhang, Huichang
    Stewart, Eugene L.
    Nolte, Robert T.
    Wang, Liping
    Ferris, Robert G.
    Edelstein, Mark
    Weaver, Kurt
    Mathis, Amanda
    Peat, Andrew
    JOURNAL OF MEDICINAL CHEMISTRY, 2012, 55 (23) : 10601 - 10609
  • [23] The synthesis of several tritiated non-nucleoside, HIV-1 reverse transcriptase inhibitors
    Hamill, Terence G.
    Brenner, Nancy J.
    Eng, Wai-Si
    Burns, H. Donald
    Journal of Labelled Compounds and Radiopharmaceuticals, 1998, 41 (04): : 319 - 327
  • [24] Arylsulfone-based HIV-1 non-nucleoside reverse transcriptase inhibitors
    Famiglini, Valeria
    Coluccia, Antonio
    Brancale, Andrea
    Pelliccia, Sveva
    La Regina, Giuseppe
    Silvestri, Romano
    FUTURE MEDICINAL CHEMISTRY, 2013, 5 (18) : 2141 - 2156
  • [25] In silico screening of HIV-1 non-nucleoside reverse transcriptase and protease inhibitors
    Leitao, Andrei
    Andricopulo, Adriano D.
    Montanari, Carlos A.
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2008, 43 (07) : 1412 - 1422
  • [26] PYRIDONE DIARYL ETHER NON-NUCLEOSIDE INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE
    Kennedy-Smith, Joshua
    Arora, Nidhi
    Billedeau, Roland
    Fretland, Jennifer
    Hang, Julie
    Heilek, Gabrielle
    Harris, Seth
    Hirschfeld, Donald
    Javanbakht, Hassan
    Li, Yu
    Liang, Weiling
    Roetz, Ralf
    Smith, Mark
    Su, Guoping
    Suh, Judy
    Sweeney, Zachary
    Villasenor, Armando
    Wu, Jeffrey
    Yasuda, Dennis
    Klumpp, Klaus
    DRUGS OF THE FUTURE, 2009, 34 : 150 - 150
  • [27] Next-generation HIV-1 non-nucleoside reverse transcriptase inhibitors
    Boone, LR
    CURRENT OPINION IN INVESTIGATIONAL DRUGS, 2006, 7 (02) : 128 - 135
  • [28] Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase
    Sweeney, Zachary K.
    Dunn, James P.
    Li, Yu
    Heilek, Gabrielle
    Dunten, Pete
    Elworthy, Todd R.
    Han, Xiaochun
    Harris, Seth F.
    Hirschfeld, Donald R.
    Hogg, J. Heather
    Huber, Walter
    Kaiser, Ann C.
    Kertesz, Denis J.
    Kim, Woongki
    Mirzadegan, Taraneh
    Roepel, Michael G.
    Saito, Y. David
    Silva, Tania M. P. C.
    Swallow, Steven
    Tracy, Jahari L.
    Villasenor, Armando
    Vora, Harit
    Zhou, Amy S.
    Klumpp, Klaus
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2008, 18 (15) : 4352 - 4354
  • [29] Systematic Investigation of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase (NNRTIs)
    Anton Beyer
    Luckhana Lawtrakul
    Supa Hannongbua
    Peter Wolschann
    Monatshefte für Chemie / Chemical Monthly, 2004, 135 : 1047 - 1059
  • [30] The role of non-nucleoside reverse transcriptase inhibitors in children with HIV-1 infection
    Maddocks S.
    Dwyer D.
    Paediatric Drugs, 2001, 3 (9): : 681 - 702
12345