Conformational analysis and geometry optimization of apomorphine as an Anti-parkinsonian agent
Pakistan Journal of Pharmaceutical Sciences. 2015; 28 (5): 1685-1690
in English
| IMEMR
| ID: emr-166661
ABSTRACT
Apomorphine, a dopamine D[1]/D[2] 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 H[1] receptor agonist
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Index:
IMEMR (Eastern Mediterranean)
Main subject:
Parkinson Disease
/
Dopamine
/
Prospective Studies
/
Antiparkinson Agents
Language:
English
Journal:
Pak. J. Pharm. Sci.
Year:
2015
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