Target Flexibility: An Emerging Consideration in Drug Discovery and Design

被引:232
作者
Cozzini, Pietro [1 ,3 ]
Kellogg, Glen E. [2 ,4 ]
Spyrakis, Francesca [1 ,3 ]
Abraham, Donald J. [1 ]
Costantino, Gabriele [5 ]
Emerson, Andrew [6 ]
Fanelli, Francesca [7 ]
Gohlke, Holger [8 ]
Kuhn, Leslie A. [9 ,10 ,11 ]
Morris, Garrett M. [12 ]
Orozco, Modesto [13 ]
Pertinhez, Thelma A. [14 ]
Rizzi, Menico [15 ]
Sotriffer, Christoph A. [16 ]
机构
[1] Univ Parma, Dept Gen & Inorgan Chem, I-43100 Parma, Italy
[2] Virginia Commonwealth Univ, Dept Med Chem, Richmond, VA 23298 USA
[3] Natl Inst Biosyst & Biostruct, Rome, Italy
[4] Virginia Commonwealth Univ, Inst Struct Biol & Drug Discovery, Richmond, VA 23298 USA
[5] Univ Parma, Dept Pharmaceut, I-43100 Parma, Italy
[6] CINECA Supercomp Ctr, Bologna, Italy
[7] Univ Modena, Dulbecco Telethon Inst, Dept Chem, I-41100 Modena, Italy
[8] Univ Kiel, Dept Math & Nat Sci, Inst Pharmaceut, D-24118 Kiel, Germany
[9] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA
[10] Michigan State Univ, Dept Comp Sci & Engn, E Lansing, MI 48824 USA
[11] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA
[12] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA
[13] Univ Barcelona, Dept Biochem & Mol Biol, Mol Modeling & Bioinformat Unit, Inst Biomed Res, E-08028 Barcelona, Spain
[14] Univ Parma, Dept Expt Med, I-43100 Parma, Italy
[15] Univ Piemonte Orientale Amedeo Avogadro, Dept Chem Food Pharmaceut & Pharmacol Sci, I-28100 Novara, Italy
[16] Univ Wurzburg, Inst Pharm & Food Chem, D-97074 Wurzburg, Germany
关键词
D O I
10.1021/jm800562d
中图分类号
R914 [药物化学];
学科分类号
100701 [药物化学];
摘要
[No abstract available]
引用
收藏
页码:6237 / 6255
页数:19
相关论文
共 172 条
[1]
ABRAHAM DJ, 2007, COMPREHENSIVE MED CH, V2
[2]
Multiscale modeling of macromolecular conformational changes combining concepts from rigidity and elastic network theory [J].
Ahmed, Aqeel ;
Gohlke, Holger .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2006, 63 (04) :1038-1051
[3]
Allen Garland., 1978, Life Science in the Twentieth Century
[4]
ALMANSA C, PYRAZOLOPYRIDI UNPUB
[5]
Contributions of intracellular loops 2 and 3 of the lutropin receptor in gs coupling [J].
Angelova, Krassimira ;
Fanelli, Francesca ;
Puett, David .
MOLECULAR ENDOCRINOLOGY, 2008, 22 (01) :126-138
[6]
Binding of small molecules to an adaptive protein-protein interface [J].
Arkin, MR ;
Randal, M ;
DeLano, WL ;
Hyde, J ;
Luong, TN ;
Oslob, JD ;
Raphael, DR ;
Taylor, L ;
Wang, J ;
McDowell, RS ;
Wells, JA ;
Braisted, AC .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2003, 100 (04) :1603-1608
[7]
ARORA S, 2005, OPTIMIZING SIDE CHAI
[8]
Anisotropy of fluctuation dynamics of proteins with an elastic network model [J].
Atilgan, AR ;
Durell, SR ;
Jernigan, RL ;
Demirel, MC ;
Keskin, O ;
Bahar, I .
BIOPHYSICAL JOURNAL, 2001, 80 (01) :505-515
[9]
Intrinsic dynamics of enzymes in the unbound state and, relation to allosteric regulation [J].
Bahar, Ivet ;
Chennubhotla, Chakra ;
Tobi, Dror .
CURRENT OPINION IN STRUCTURAL BIOLOGY, 2007, 17 (06) :633-640
[10]
Lipids, lipid rafts and caveolae: Their importance for GPCR signaling and their centrality to the endocannabinoid system [J].
Barnett-Norris, J ;
Lynch, D ;
Reggio, PH .
LIFE SCIENCES, 2005, 77 (14) :1625-1639