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Conformational analysis and geometry optimization of apomorphine as an Anti-parkinsonian agent
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نویسنده
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ikram h. ,bano k. ,jameel m. ,azhar m. ,saeed k. ,sufian m.
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منبع
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pakistan journal of pharmaceutical sciences - 2015 - دوره : 28 - شماره : 5 - صفحه:1685 -1690
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چکیده
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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.
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کلیدواژه
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Apomorphine; ArgusLab; Conformational analysis
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آدرس
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department of biochemistry,university of karachi, Pakistan, department of biochemistry,university of karachi, Pakistan, department of physics,university of karachi, Pakistan, department of physics,university of karachi, Pakistan, dr. panjwani center for molecular medicine and drug research,university of karachi, Pakistan, dr. panjwani center for molecular medicine and drug research,university of karachi, Pakistan
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Authors
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