Chemical and Pharmaceutical Bulletin
Online ISSN : 1347-5223
Print ISSN : 0009-2363
ISSN-L : 0009-2363
Conformational Analysis of Prostaglandins. IV. Relationship between Melting Point and Calculated Conformational Energy of Prostaglandins
ATSUSHI MURAKAMIYUKIO AKAHORI
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Keywords: PGF
JOURNAL FREE ACCESS

1979 Volume 27 Issue 2 Pages 548-550

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Abstract
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, PGF, 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.
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© The Pharmaceutical Society of Japan
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