Protein flexibility and drug design: how to hit a moving target

被引:256
作者
Carlson, HA [1 ]
机构
[1] Univ Michigan, Dept Med Chem, Coll Pharm, Ann Arbor, MI 48109 USA
关键词
D O I
10.1016/S1367-5931(02)00341-1
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The most advanced methods for computer-aided drug design and database mining incorporate protein flexibility. Such techniques are not only needed to obtain proper results; they are also critical for dealing with the growing body of information from structural genomics.
引用
收藏
页码:447 / 452
页数:6
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共 50 条
[1]   High-throughput docking for lead generation [J].
Abagyan, R ;
Totrov, M .
CURRENT OPINION IN CHEMICAL BIOLOGY, 2001, 5 (04) :375-382
[2]   Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking [J].
Anderson, AC ;
O'Neil, RH ;
Surti, TS ;
Stroud, RM .
CHEMISTRY & BIOLOGY, 2001, 8 (05) :445-457
[3]   An analysis of conformational changes on protein-protein association: implications for predictive docking [J].
Betts, MJ ;
Sternberg, MJE .
PROTEIN ENGINEERING, 1999, 12 (04) :271-283
[4]   Structure-based library design:: molecular modelling merges with combinatorial chemistry [J].
Böhm, HJ ;
Stahl, M .
CURRENT OPINION IN CHEMICAL BIOLOGY, 2000, 4 (03) :283-286
[5]   A method for including protein flexibility in protein-ligand docking: Improving tools for database mining and virtual screening [J].
Broughton, HB .
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2000, 18 (03) :247-+
[6]   Designing non-peptide peptidomimetics in the 21st century: Inhibitors targeting conformational ensembles [J].
Bursavich, MG ;
Rich, DH .
JOURNAL OF MEDICINAL CHEMISTRY, 2002, 45 (03) :541-558
[7]   Developing a dynamic pharmacophore model for HIV-1 integrase [J].
Carlson, HA ;
Masukawa, KM ;
Rubins, K ;
Bushman, FD ;
Jorgensen, WL ;
Lins, RD ;
Briggs, JM ;
McCammon, JA .
JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (11) :2100-2114
[8]  
Carlson HA, 2000, MOL PHARMACOL, V57, P213
[9]   Method for including the dynamic fluctuations of a protein in computer-aided drug design [J].
Carlson, HA ;
Masukawa, KM ;
McCammon, JA .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (49) :10213-10219
[10]   Chemogenomic approaches to drug discovery - Commentary [J].
Caron, PR ;
Mullican, MD ;
Mashal, RD ;
Wilson, KP ;
Su, MS ;
Murcko, MA .
CURRENT OPINION IN CHEMICAL BIOLOGY, 2001, 5 (04) :464-470