THE MOLECULAR ELECTROSTATIC POTENTIAL AND DRUG DESIGN

被引：0
|
作者：
PEPE, G [1 ]
SIRI, D [1 ]
REBOUL, JP [1 ]
机构：
[1] UNIV AIX MARSEILLE 2, GERCTOP, F-13388 MARSEILLE 5, FRANCE
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1992年 / 88卷
关键词：
D O I：
暂无
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The molecular electrostatic potential (MEP) is now a classical tool in chemical activity analysis, especially in drug design. In this paper we discuss, from different MEP applications in drug studies, significant results obtained over the last few years. This analysis led us to define how the MEP can be used in drug design, and the limits of its application, whatever the accuracy of the method used to calculate it.
引用
收藏
页码：175 / 185
页数：11
相关论文
共 50 条
  • [1] THE USE OF MOLECULAR ELECTROSTATIC POTENTIAL SURFACES IN DRUG DESIGN
    WEBER, HP
    WIDMER, A
    HERBST, W
    BERNEY, D
    KOLLMAN, P
    LYBRAND, T
    SINGH, UC
    JOURNAL OF MOLECULAR GRAPHICS, 1985, 3 (03): : 106 - 107
  • [2] Application of molecular electrostatic potentials in drug design
    Bhosale, Shubhangi S.
    Shaikh, Mushtaque S.
    Coutinho, Evans C.
    Sarah, Anil
    Proceedings of the Indian National Science Academy, 2007, 73 (02): : 91 - 110
  • [3] Hydrogen Bonding, Electrostatic Potential, and Molecular Design
    Kenny, Peter W.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2009, 49 (05) : 1234 - 1244
  • [4] MOLECULAR ELECTROSTATIC POTENTIAL STUDIES ON ANTIEPILEPTIC DRUG - TRXIDONE
    JAYASURIYA, K
    WILLIAMS, DJ
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 30 (02) : 265 - 273
  • [5] Molecular electrostatic potential as a factor of drug-receptor recognition
    Dukhovich, FS
    Darkhovskii, MB
    JOURNAL OF MOLECULAR RECOGNITION, 2003, 16 (04) : 191 - 202
  • [6] THE MOLECULAR ELECTROSTATIC POTENTIAL AS A DETERMINANT OF RECEPTOR-DRUG RECOGNITION
    HADZI, D
    HODOSCEK, M
    KOCJAN, D
    SOLMAJER, T
    AVBELJ, F
    CROATICA CHEMICA ACTA, 1984, 57 (05) : 1065 - 1074
  • [7] MOLECULAR ELECTROSTATIC POTENTIAL - A TOOL FOR THE PREDICTION OF THE PHARMACOPHORIC PATTERN OF DRUG MOLECULES
    GUHA, S
    MAJUMDAR, D
    BHATTACHARJEE, AK
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1992, 88 : 61 - 74
  • [8] Unveiling Drug Discovery Insights Through Molecular Electrostatic Potential Analysis
    Haritha, Mambatta
    Suresh, Cherumuttathu H.
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2024, 14 (06)
  • [9] THE MOLECULAR ELECTROSTATIC POTENTIAL OF THE INSULIN
    SHAO, J
    WEN, YK
    LI, ZM
    ACTA CHIMICA SINICA, 1986, 44 (02) : 125 - 132
  • [10] Molecular Electrostatic Potential as a Graph
    Daza, Edgar E.
    Maza, Julio
    Torres, Raul
    CURRENT COMPUTER-AIDED DRUG DESIGN, 2013, 9 (02) : 272 - 280
12345