Conformational Analysis of Prostaglandins. IV. Relationship between Melting Point and Calculated Conformational Energy of Prostaglandins

抄録

A conformational energy calculation was carried out on nine prostaglandins / PGE₁, 11-epi PGE₁, 15-epi PGE₁, 11, 15-epi PGE₁, PGA₁, 15-epi PGA₁, PGF_1α, PGF_1β, and PGB₁. 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.