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Updated: Aug 11, 2026

Contractility Measurements of Human Uterine Smooth Muscle to Aid Drug Development
Published on: January 26, 2018
Comparative study of eight oxytocin antagonists by simulated annealing
1Department of Pharmacodynamics and Biopharmacy, University of Szeged, Eötvös u. 6., Szeged, 6720, Hungary. jojartb@pharm.u-szeged.hu
Abstract:
In this study, eight oxytocin (OT) antagonists were subjected to conformational analysis. By means of simulated annealing, 2,000 structures were generated to sample the conformational space. The preferred main-chain and side-chain dihedral angles, intramolecular H-bond interactions (types 1<--4 and 1<--3), and secondary-structure elements (beta-turns) were determined in the series of compounds. The influence of the modified amino acid on these structural elements was established; the values determined will be used as filtration criterion in preliminary research.
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