Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride

2011 ◽  
Vol 11 (1) ◽  
pp. 59-68 ◽  
Author(s):  
Ana Belén Lago ◽  
Rosa Carballo ◽  
Emilia García-Martínez ◽  
Ezequiel M. Vázquez-López
Keyword(s):  
Hydrogen Bonding ◽  
Aprotic Solvents ◽  
Effect Of Ph ◽  
Ligand Interactions

scholarly journals Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration

Biomolecules ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 196 ◽  
Author(s):  
Mojca Kržan ◽  
Jan Keuschler ◽  
Janez Mavri ◽  
Robert Vianello
Keyword(s):  
Hydrogen Bonding ◽  
Active Sites ◽  
Density Functional ◽  
Receptor Activation ◽  
Histamine H2 Receptor ◽  
Therapeutic Practice ◽  
H2 Receptor ◽  
Ligand Interactions ◽  
Solvent Molecules ◽  
Near Future

We used a combination of density functional theory (DFT) calculations and the implicit quantization of the acidic N–H and O–H bonds to assess the effect of deuteration on the binding of agonists (2-methylhistamine and 4-methylhistamine) and antagonists (cimetidine and famotidine) to the histamine H2 receptor. The results show that deuteration significantly increases the affinity for 4-methylhistamine and reduces it for 2-methylhistamine, while leaving it unchanged for both antagonists, which is found in excellent agreement with experiments. The revealed trends are interpreted in the light of the altered strength of the hydrogen bonding upon deuteration, known as the Ubbelohde effect, which affects ligand interactions with both active sites residues and solvent molecules preceding the binding, thus providing strong evidence for the relevance of hydrogen bonding for this process. In addition, computations further underline an important role of the Tyr250 residue for the binding. The obtained insight is relevant for the therapy in the context of (per)deuterated drugs that are expected to enter therapeutic practice in the near future, while this approach may contribute towards understanding receptor activation and its discrimination between agonists and antagonists.

Physical gelation of polar aprotic solvents induced by hydrogen bonding modulation of polymeric molecules

2010 ◽  
Vol 46 (31) ◽  
pp. 5722 ◽  
Author(s):  
Duyoun Ka ◽  
Myungeun Seo ◽  
Hyungsam Choi ◽  
Eun Hee Kim ◽  
Sang Youl Kim
Keyword(s):  
Hydrogen Bonding ◽  
Aprotic Solvents ◽  
Physical Gelation

Triple ion formation by the hydrogen-bonding force in protophobic aprotic solvents

1990 ◽  
Vol 94 (15) ◽  
pp. 6073-6079 ◽  
Author(s):  
Masashi. Hojo ◽  
Akihiro. Watanabe ◽  
Taiji. Mizobuchi ◽  
Yoshihiko. Imai
Keyword(s):  
Hydrogen Bonding ◽  
Aprotic Solvents ◽  
Bonding Force ◽  
Ion Formation ◽  
Triple Ion Formation ◽  
Triple Ion

Kinetic Stabilization of Quinone Dianions via Hydrogen Bonding by Water in Aprotic Solvents

2015 ◽  
Vol 119 (35) ◽  
pp. 20319-20327 ◽  
Author(s):  
Patrick A. Staley ◽  
Eric M. Lopez ◽  
Laurie A. Clare ◽  
Diane K. Smith
Keyword(s):  
Hydrogen Bonding ◽  
Aprotic Solvents

scholarly journals Probing backbone hydrogen bonding in PDZ/ligand interactions by protein amide-to-ester mutations

2014 ◽  
Vol 5 (1) ◽  
Author(s):  
Søren W. Pedersen ◽  
Stine B. Pedersen ◽  
Louise Anker ◽  
Greta Hultqvist ◽  
Anders S. Kristensen ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ligand Interactions
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