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—— 中国食品杂志社
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Screening of potential GCMS derived antimigraine compound from the leaves of Abrus precatorius Linn to target “calcitonin gene related peptide” receptor using in silico analysis
来源:食品科学网 阅读量: 332 发表时间: 2019-09-25
作者: V. Parthasarathy∗, T.V Ajay Kumar
关键词: Calcitonin gene-related peptide,Abrus precatorius Linn,Discovery studio,Migraine,C-DOCKER,ADME
摘要:

Calcitonin receptor-like receptor (CRLR) is a human protein, that produces a calcitonin gene-related peptide

receptor (CGRP)whenassociates withhumanreceptor activity-modifying protein-1 (HRAMP1).CGRP

is believed to be involved in triggering of migraine. Many strategies were employed to design antimigraine

drug using various CGRP antagonist/ligands but most of them have failed due to their inability to

reach the target “CGRP receptor” as they get metabolized before conferring their pharmacological action

and exhibit toxic effect to the liver. The present study, evaluated the binding of 13 phyto-chemical compounds

of “Abrus precatorius” identified throughGCMSanalysis against the protein CGRP using “Discovery

Studio software”. The molecular docking study and ADME/T properties prediction were performed with

the compounds using C-DOCKER module. The results showed that five lead compounds of A. precatorius

may act as good inhibitors for migraine headache and the compounds can be re-designed and synthesized

for better antimigraine activity.

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