Unraveling structural mechanisms of allosteric drug action

Highlights • Allosteric drug discovery should be rooted in the principles of allostery. • Allosteric drugs can comprise anchor and pushing or pulling driver atoms. • Pushing/pulling driver atoms can determine the agonist/antagonist outcome. • We map a strategy for distinguishing between agonist and...

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Veröffentlicht in:	Trends in pharmacological sciences (Regular ed.) 2014-05, Vol.35 (5), p.256-264
Hauptverfasser:	Nussinov, Ruth, Tsai, Chung-Jung
Format:	Artikel
Sprache:	eng
Schlagworte:	Advanced Basic Science agonist allosteric drug discovery Allosteric Regulation - drug effects allostery anchor atom antagonist Catalytic Domain - drug effects driver atom Drug Discovery Models, Chemical Molecular Conformation Pharmaceutical Preparations - chemistry Pharmacology - methods protocol Thermodynamics
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Zusammenfassung:	Highlights • Allosteric drug discovery should be rooted in the principles of allostery. • Allosteric drugs can comprise anchor and pushing or pulling driver atoms. • Pushing/pulling driver atoms can determine the agonist/antagonist outcome. • We map a strategy for distinguishing between agonist and antagonist in drug development.
ISSN:	0165-6147 1873-3735
DOI:	10.1016/j.tips.2014.03.006