Theoretical studies on molecular determinants for recognition at H3 histamine receptors.
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 alpha-methylhistamine. Receptor environment and hydration effects of active form of histamine analogs are of crucial importance.
Mazurek
A P
AP
Drug Institute, Warsaw, Poland.
Karpińska
G
G
D002151:Calorimetry; D006860:Hydrogen Bonding; D008761:Methylhistamines / Q000737:chemistry / Q000378:metabolism; D008962:Models, Theoretical; D015394:Molecular Structure; D011789:Quantum Theory; D011970:Receptors, Histamine H2 / Q000737:chemistry; D018100:Receptors, Histamine H3 / Q000737:chemistry* / Q000378:metabolism; D013329:Structure-Activity Relationship
D008761:Methylhistamines; D011970:Receptors, Histamine H2; D018100:Receptors, Histamine H3; C069357:alpha-methylhistamine