Conformational Analysis of Glycerophosphate

概要

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As a part of our studies on the conformational analysis of calcium glycerophosphate, empirical potential energy calculations were carried out to investigate the conformational features of α- and β-glycerophosphates. The energy terms included in the total energy expression consist of nonbonded, electrostatic and torsional energies. In this calculation, the values of torsion angles are parameterized and optimized by means of the Powell algorithm. We obtained four stable conformations for α-glycerophosphate and three for β-glycerophosphate. The conformational features of glycerophosphates could be summarized as follows ; the conformation of α-d-glycerophosphate is characterized by the glycerol backbone chain (Ψ2,Ψ3) corresponding to trans-gauche (+), and that of β-glycerophosphate is characterized by the linkage of glycerol and phosphate groups (Ф5) corresponding to gauche (-).
公益社団法人日本薬学会の論文
1979-08-25