ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The paper reports comparison of electrostatic charge and energy distribution on the basis of the CNDO/2 method for six forms of prostaglandins-PGF2α, PGF1β, PGE1, PGE2, PGB1, and PGA1-having diverse physiological action. The isopotential mapping done in three dimension showed that the lower value of electrostatic potential and proximity of the two low energy regions around O9 and O11 in PGE2 and PGF2α is probably responsible for their higher abortificient activity. We also compare here the variation of the long- and short-range interaction between ring-chain and chain-chain portion of different forms and compared them with the variation in their action.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560200116
