Molecular Recognition Models: A Challenge to Overcome

被引:15
作者
Caceres, Rafael Andrade [1 ,2 ]
Pauli, Ivani [1 ]
Saraiva Macedo Timmers, Luis Fernando [1 ]
de Azevedo, Walter Filgueira, Jr. [1 ,2 ]
机构
[1] Pontificia Univ Catolica Rio Grande do Sul, Fac Biociencias, Lab Bioquim Estrutural, Porto Alegre, RS, Brazil
[2] Pontificia Univ Catolica Rio Grande do Sul, Programa Posgrad Med & Ciencias Saude, Porto Alegre, RS, Brazil
关键词
Binding affinity; molecular recognition; protein-ligand; drug-design;
D O I
10.2174/138945008786949414
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
Molecular recognition process describes the interaction involving two molecules. In the case of biomolecules, these pairs of molecules could be protein-protein, protein-ligand or protein-nucleic acid. The first model to capture the essential features, behind the molecular recognition problem, was the lock-and-key paradigm. The overall analysis protein-protein, protein-nucleic acid and protein-ligand interaction based on the three-dimensional structures and physicochemical parameters, such as binding affinity, opened the possibility to provide further insights in this basic phenomenon. The main ideas behind the molecular recognition are discussed in the present review.
引用
收藏
页码:1077 / 1083
页数:7
相关论文
共 96 条
[1]   Opioid diketopiperazines: Synthesis and activity of a prototypic class of opioid antagonists [J].
Balboni, G ;
Guerrini, R ;
Salvadori, S ;
Tomatis, R ;
Bryant, SD ;
Bianchi, C ;
Attila, M ;
Lazarus, LH .
BIOLOGICAL CHEMISTRY, 1997, 378 (01) :19-29
[2]   Molecular recognition - Viewed through the eyes of the solvent [J].
Ben-Naim, A .
BIOPHYSICAL CHEMISTRY, 2002, 101 :309-319
[3]  
Ben-Naim A, 2001, COOPERATIVITY REGULA, DOI [10.1007/978-1-4757-3302-0, DOI 10.1007/978-1-4757-3302-0]
[4]   SOLVENT EFFECTS ON PROTEIN ASSOCIATION AND PROTEIN FOLDING [J].
BENNAIM, A .
BIOPOLYMERS, 1990, 29 (03) :567-596
[5]  
BENNAIM A, 1992, STAT THERMODYNAMICS
[6]   The Protein Data Bank [J].
Berman, HM ;
Westbrook, J ;
Feng, Z ;
Gilliland, G ;
Bhat, TN ;
Weissig, H ;
Shindyalov, IN ;
Bourne, PE .
NUCLEIC ACIDS RESEARCH, 2000, 28 (01) :235-242
[7]   PROTEIN DATA BANK - COMPUTER-BASED ARCHIVAL FILE FOR MACROMOLECULAR STRUCTURES [J].
BERNSTEIN, FC ;
KOETZLE, TF ;
WILLIAMS, GJB ;
MEYER, EF ;
BRICE, MD ;
RODGERS, JR ;
KENNARD, O ;
SHIMANOUCHI, T ;
TASUMI, M .
JOURNAL OF MOLECULAR BIOLOGY, 1977, 112 (03) :535-542
[8]   Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis [J].
Bertacine Dias, Marcio Vinicius ;
Faim, Livia Maria ;
Vasconcelos, Igor Bordin ;
de Oliveira, Jaim Simoes ;
Basso, Luiz Augusto ;
Santos, Diogenes Santiago ;
de Azevedo, Walter Filgueira, Jr. .
ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS, 2007, 63 :1-6
[9]  
Bohm H.-J., 2006, PROTEIN LIGAND INTER, V19
[10]   Possible ligand-receptor interactions for NK1 antagonists as observed in their crystal structures [J].
Boks, GJ ;
Tollenaere, JP ;
Kroon, J .
BIOORGANIC & MEDICINAL CHEMISTRY, 1997, 5 (03) :535-547