Bioorganometallic Chemistry. 5. Molecular Recognition of Aromatic Amino Acid Guests by Cp*Rh-Nucleobase/Nucleoside/Nucleotide Cyclic Trimer Hosts in Aqueous Solution

1995 ◽  
Vol 117 (12) ◽  
pp. 3631-3632 ◽  
Author(s):  
Hong Chen ◽  
Marcos F. Maestre ◽  
Richard H. Fish
2019 ◽  
Author(s):  
Andrea N. Bootsma ◽  
Analise C. Doney ◽  
Steven Wheeler

<p>Despite the ubiquity of stacking interactions between heterocycles and aromatic amino acids in biological systems, our ability to predict their strength, even qualitatively, is limited. Based on rigorous <i>ab initio</i> data, we have devised a simple predictive model of the strength of stacking interactions between heterocycles commonly found in biologically active molecules and the amino acid side chains Phe, Tyr, and Trp. This model provides rapid predictions of the stacking ability of a given heterocycle based on readily-computed heterocycle descriptors. We show that the values of these descriptors, and therefore the strength of stacking interactions with aromatic amino acid side chains, follow simple predictable trends and can be modulated by changing the number and distribution of heteroatoms within the heterocycle. This provides a simple conceptual model for understanding stacking interactions in protein binding sites and optimizing inhibitor binding in drug design.</p>


Soft Matter ◽  
2020 ◽  
Vol 16 (28) ◽  
pp. 6599-6607 ◽  
Author(s):  
Pijush Singh ◽  
Souvik Misra ◽  
Nayim Sepay ◽  
Sanjoy Mondal ◽  
Debes Ray ◽  
...  

The self-assembly and photophysical properties of 4-nitrophenylalanine (4NP) are changed with the alteration of solvent and final self-assembly state of 4NP in competitive solvent mixture and are dictated by the solvent ratio.


1962 ◽  
Vol 237 (3) ◽  
pp. 803-806
Author(s):  
Gordon Guroff ◽  
Sidney Udenfriend

Author(s):  
Xuemin Liu ◽  
Ke Wu ◽  
Weili Song ◽  
Qiuyun Lei ◽  
Hui Zhang ◽  
...  
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