Hydration Properties of Ligands and Drugs in Protein Binding Sites: Tightly-Bound, Bridging Water Molecules and Their Effects and Consequences on Molecular Design Strategies

2013 ◽  
Vol 53 (6) ◽  
pp. 1388-1405 ◽  
Author(s):  
Alfonso T. García-Sosa
Keyword(s):  
Protein Binding ◽  
Binding Sites ◽  
Molecular Design ◽  
Water Molecules ◽  
Design Strategies ◽  
Hydration Properties ◽  
Protein Binding Sites

Robust Classification of “Relevant” Water Molecules in Putative Protein Binding Sites

2008 ◽  
Vol 51 (4) ◽  
pp. 1063-1067 ◽  
Author(s):  
Alessio Amadasi ◽  
J. Andrew Surface ◽  
Francesca Spyrakis ◽  
Pietro Cozzini ◽  
Andrea Mozzarelli ◽  
...  
Keyword(s):  
Protein Binding ◽  
Binding Sites ◽  
Water Molecules ◽  
Protein Binding Sites ◽  
Robust Classification ◽  
Putative Protein

scholarly journals Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization

2009 ◽  
Vol 131 (42) ◽  
pp. 15403-15411 ◽  
Author(s):  
Julien Michel ◽  
Julian Tirado-Rives ◽  
William L. Jorgensen
Keyword(s):  
Protein Binding ◽  
Binding Sites ◽  
Water Molecules ◽  
Protein Binding Sites

Classification of Water Molecules in Protein Binding Sites

2007 ◽  
Vol 129 (9) ◽  
pp. 2577-2587 ◽  
Author(s):  
Caterina Barillari ◽  
Justine Taylor ◽  
Russell Viner ◽  
Jonathan W. Essex
Keyword(s):  
Protein Binding ◽  
Binding Sites ◽  
Water Molecules ◽  
Protein Binding Sites

scholarly journals Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites

PLoS ONE ◽  
2012 ◽  
Vol 7 (3) ◽  
pp. e32036 ◽  
Author(s):  
Gregory A. Ross ◽  
Garrett M. Morris ◽  
Philip C. Biggin
Keyword(s):  
Protein Binding ◽  
Binding Sites ◽  
Accurate Prediction ◽  
Water Molecules ◽  
Protein Binding Sites

EVALUATION OF TISSUE STEROID BINDING IN VITRO

1971 ◽  
Vol 68 (1_Suppl) ◽  
pp. S223-S246 ◽  
Author(s):  
C. R. Wira ◽  
H. Rochefort ◽  
E. E. Baulieu
Keyword(s):  
Protein Binding ◽  
Binding Sites ◽  
Experimental System ◽  
Specific Protein ◽  
Coupling Mechanism ◽  
Target Tissue ◽  
Protein Binding Sites ◽  
Definition Of ◽  
Hormone Specificity

ABSTRACT The definition of a RECEPTOR* in terms of a receptive site, an executive site and a coupling mechanism, is followed by a general consideration of four binding criteria, which include hormone specificity, tissue specificity, high affinity and saturation, essential for distinguishing between specific and nonspecific binding. Experimental approaches are proposed for choosing an experimental system (either organized or soluble) and detecting the presence of protein binding sites. Techniques are then presented for evaluating the specific protein binding sites (receptors) in terms of the four criteria. This is followed by a brief consideration of how receptors may be located in cells and characterized when extracted. Finally various examples of oestrogen, androgen, progestagen, glucocorticoid and mineralocorticoid binding to their respective target tissues are presented, to illustrate how researchers have identified specific corticoid and mineralocorticoid binding in their respective target tissue receptors.

scholarly journals Transcription signals and protein binding sites for sericin gene transcription in vitro

1989 ◽  
Vol 264 (31) ◽  
pp. 18707-18713 ◽  
Author(s):  
K Matsuno ◽  
C C Hui ◽  
S Takiya ◽  
T Suzuki ◽  
K Ueno ◽  
...  
Keyword(s):  
Protein Binding ◽  
Gene Transcription ◽  
Binding Sites ◽  
Protein Binding Sites ◽  
Transcription In Vitro ◽  
Transcription Signals
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