Conformational Analysis of Prostaglandins. IV. Relationship between Melting Point and Calculated Conformational Energy of Prostaglandins
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A conformational energy calculation was carried out on nine prostaglandins / PGE_1,11-epi PGE_1,15-epi PGE_1,11,15-epi PGE_1,PGA_1,15-epi PGA_1,PGF_<1α>, PGF_<1β>, and PGB_1. The number of sterically allowed backbone conformations obtained by the computer experiment is related to the state of prostaglandins. The prostaglandin having a large number of sterically allowed backbone conformations (more than 70) was in an oily state, and the prostaglandin which had a small number of sterically allowed backbone conformations was in a crystalline state. Melting point of prostaglandin is related to conformational energy difference between the mean conformational energy and the lowest conformational energy of all sterically allowed conformations calculated by the computer experiment.
- 公益社団法人日本薬学会の論文
- 1979-02-25
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