scholarly journals Interplay among Electrostatic, Dispersion, and Steric Interactions: Spectroscopy and Quantum Chemical Calculations of π-Hydrogen Bonded Complexes

ChemPhysChem ◽  
2017 ◽  
Vol 18 (7) ◽  
pp. 828-838 ◽  
Author(s):  
Sumit Kumar ◽  
Santosh K. Singh ◽  
Jamuna K. Vaishnav ◽  
J. Grant Hill ◽  
Aloke Das
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Steric Interactions ◽  
Electrostatic Dispersion ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Theoretical Studies on Molecular Determinants for Recognition at H3 Histamine Receptors

1994 ◽  
Vol 49 (7-8) ◽  
pp. 471-475 ◽  
Author(s):  
Aleksander P. Mazurek ◽  
Grażyna Karpińska
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Active Form ◽  
Histamine Receptor ◽  
Histamine Receptors ◽  
Theoretical Studies ◽  
Crucial Importance ◽  
Molecular Determinants ◽  
Hydrogen Bonded

The determinants for recognition at H3 histamine receptors are considered. Findings based on quantum-chemical calculations suggest that H3 histamine receptor is less hydrophilic than the H2. The form most likely to be recognized by the H3 receptor is an intramolecularly hydrogen-bonded form of α-methylhistamine. Receptor environment and hydration effects of active form of histamine analogs are of crucial importance

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