A QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDIES ON A SERIES OF 4,1-BENZOXAZEPINONE ANALOGUES OF EFAVIRENZ, AS HIV-1 REVERSE TRANSCRIPTASE INHIBITORS

被引:0
|
作者
Srivastava, P. L. [1 ]
Kesharwani, N. [1 ]
机构
[1] MNNIT, Dept Civil Engn, Geo Technol Lab, Allahabad 211004, Uttar Pradesh, India
来源
OXIDATION COMMUNICATIONS | 2010年 / 33卷 / 04期
关键词
QSAR; 4,1-benzoxazepinone; Efavirenz; HIV; regression analysis; SUSTIVA(TM);
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The anti HIV-1 activity of benzoxazepinone analogues of Efavirenz is analysed in relation to their physicochemical and molecular properties. The activity of the compounds is found to be significantly correlated with steric parameter, molecular connectivity (1)chi(v) and lg I, electronic parameter, equalised electro-negativity chi(eq) and hydrophobicity lg P. The results are found to be useful in discussing the mechanism of drug receptor interaction.
引用
收藏
页码:943 / 947
页数:5
相关论文
共 50 条
  • [1] 4,1-Benzoxazepinone analogues of efavirenz (Sustiva™) as HIV-1 reverse transcriptase inhibitors
    Cocuzza, AJ
    Chidester, DR
    Cordova, BC
    Klabe, RM
    Jeffrey, S
    Diamond, S
    Weigelt, CA
    Ko, SS
    Bacheler, LT
    Erickson-Viitanen, SK
    Rodgers, JD
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2001, 11 (11) : 1389 - 1392
  • [2] Three dimensional quantitative structure-activity relationship of DATA analogues as HIV-1 reverse transcriptase inhibitors
    Xiong Yuan-Zhen
    Chen Fen-Er
    Feng Xiao-Qing
    [J]. ACTA CHIMICA SINICA, 2006, 64 (16) : 1627 - 1630
  • [3] Three dimensional quantitative structure-activity relationship of HEPT analogues as HIV-1 reverse transcriptase inhibitors
    Meng, G
    He, YP
    Chen, FE
    [J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2002, 23 (07): : 1304 - 1308
  • [4] Quantitative Structure-Activity Relationship of IOPY/ISPY Analogues as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors
    Zhu Ruixin
    Wang Fei
    Liu Qi
    Kang Tingguo
    [J]. ACTA CHIMICA SINICA, 2011, 69 (15) : 1731 - 1736
  • [5] Docking, molecular dynamics and quantitative structure-activity relationship studies for HEPTs and DABOs as HIV-1 reverse transcriptase inhibitors
    Mao, Yating
    Li, Yan
    Hao, Ming
    Zhang, Shuwei
    Ai, Chunzhi
    [J]. JOURNAL OF MOLECULAR MODELING, 2012, 18 (05) : 2185 - 2198
  • [6] Docking, molecular dynamics and quantitative structure-activity relationship studies for HEPTs and DABOs as HIV-1 reverse transcriptase inhibitors
    Yating Mao
    Yan Li
    Ming Hao
    Shuwei Zhang
    Chunzhi Ai
    [J]. Journal of Molecular Modeling, 2012, 18 : 2185 - 2198
  • [7] STRUCTURE-ACTIVITY STUDIES OF NOVEL INHIBITORS OF HIV-1 REVERSE-TRANSCRIPTASE
    LYLE, TA
    YOUNG, SD
    ANDERSON, PS
    BALANI, SK
    BRITCHER, SF
    CARROLL, SS
    CULBERSON, C
    EMINI, EA
    GOLDMAN, ME
    HOMNICK, CF
    HUFF, JR
    LUMMA, WC
    OBRIEN, JA
    OLSEN, DB
    PAYNE, LS
    PETTIBONE, DJ
    QUINTERO, JC
    SANDERS, WM
    SANDERSON, PEJ
    SCHLEIF, WA
    SMITH, SJ
    STAHLHUT, M
    THEOHARIDES, AM
    THOMAS, CM
    TRAN, LO
    TUCKER, TJ
    WISCOUNT, CM
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1993, 206 : 135 - MEDI
  • [8] Docking and Quantitative Structure-Activity Relationship Studies for the Bisphenylbenzimidazole Family of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
    Lagos, Carlos F.
    Caballero, Julio
    Gonzalez-Nilo, Fernando D.
    Pessoa-Mahana, Carlos David
    Perez-Acle, Tomas
    [J]. CHEMICAL BIOLOGY & DRUG DESIGN, 2008, 72 (05) : 360 - 369
  • [9] QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDIES ON A SERIES OF TRIAZOLE DERIVATIVES AS NON-NUCLEOSIDE INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE
    Srivastava, A. K.
    Pandey, A.
    Nath, A.
    Pathak, V. K.
    [J]. OXIDATION COMMUNICATIONS, 2011, 34 (04): : 843 - 854
  • [10] Quantitative structure-activity relationships of HIV-1 reverse transcriptase inhibitors, using hologram QSAR
    Pungpo, P
    Wolschann, P
    Hannongbua, S
    [J]. RATIONAL APPROACHES TO DRUG DESIGN, 2001, : 206 - 210