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
Related Articles
- EP ID EP106215
- DOI -
- Views 102
- Downloads 0
Rheumatoid arthritis: What have we learned about the causing factors?
Rheumatoid Arthritis (RA) is a common inflammatory autoimmune disease characterized by the synovitis of both small and large joints, which may lead to the destruction of cartilage and bones causing significant disa...
In vitro evaluation of antimicrobial activity of Kutajghan vati – An Ayurvedic formulation
The present investigation focuses to determine the antimicrobial potential of an Ayurvedic formulation Kutajghan vati. In this study the activity of this formulation was compared with the standard antibiotics like Amikac...
Pharmacological ins and outs of medicinal plants against Helicobacter pylori: A review
Since Helicobacter pylori was discovered in 1980, it has been considered as a major cause in the pathogenesis of gastric ulcer, mucosa-associated lymphoid tissue (MALT) lymphomas, and gastric cancer. Eventually ant...
Purification and partial characterization of a Fructose-binding lectin from the leaves of Euphorbia helioscopia
A lectin was purified from leaves of Euphorbia helioscopia, by a combination of ion-exchange and gel filtration chromatography. On ion exchange using a DEAE- cellulose column in 0.2 M phosphate buffer, pH 7.2, the...
Sorafenib in renal cell carcinoma
Cancer is among most important causes of death in recent decades. Whoever the renal cell carcinoma incidence is low but it seems it is more complicated than the other cancers in terms of pathophysiology and treatme...