Conformational analysis and geometry optimization of apomorphine as an Anti-parkinsonian agent
Journal Title: Pakistan Journal of Pharmaceutical Sciences - Year 2015, Vol 28, Issue 5
Abstract
Apomorphine, a dopamine D1/D2 agonist, is an important drug of choice for the treatment of Parkinson’s and related disorders. The present study was designed to perform the conformational analysis and geometry optimization of apomorphine. Resultant optimized structure corresponds to a substance as it is found in nature. This could be used for a variety of experimental and theoretical investigations especially in the field of pharmacokinetics. The results indicate that the best conformation of the molecule is present at minimum potential energy -88702.9595 kcal/mol. At this point molecule will be more active as histamine H1 receptor agonist.
Authors and Affiliations
Huma Ikram , Khalida Bano , , Muhammad Jameel , Kiran Saeed , Muhammad Sufian
Keywords
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