• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>International journal of computational biology and drug design >A novel formulation of veggies with potent anti-migraine activity
【24h】

A novel formulation of veggies with potent anti-migraine activity

机译：具有有效的抗偏头痛活性的新型蔬菜配方

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Calcitonin gene-related peptide (CGRP) is involved in triggering migraine. Many strategies for antimigraine drug designing have been employed using various CGRP antagonist/ligands but most of them have failed due to their inability to reach target CGRP receptor as they get metabolised before conferring their pharmacological action and they are also toxic to the liver. In the present study, we evaluated the binding of our active ligands present in real veggies with the CGRP receptor crystal structure and compared their binding energy and affinity with other reference anti-migraine drugs/ligands present in the market. A high-throughput screening comprising of molecular docking, Absorption, Distribution, Metabolism, Excretion and Toxicity predictions, logP values and % of human oral absorption value led to the identification of two potential compounds present in Live green real veggies which could be considered for anti-migraine activity with better binding affinities than the reference drugs used and with liver-protective properties.
机译：降钙素基因相关肽（CGRP）参与引发偏头痛。已使用多种CGRP拮抗剂/配体采用了许多抗偏头痛药物设计策略，但由于它们在赋予药理作用之前被代谢，因此无法达到目标CGRP受体，因此大多数策略均未通过，并且对肝脏也有毒性。在本研究中，我们评估了实际蔬菜中存在的活性配体与CGRP受体晶体结构的结合，并将它们的结合能和亲和力与市场上其他参考抗偏头痛药物/配体进行了比较。高通量筛选包括分子对接，吸收，分布，代谢，排泄和毒性预测，logP值和人类口服吸收值的百分比，从而鉴定出活绿色真实蔬菜中存在的两种潜在化合物，可以考虑将其用于抗药性-偏头痛活性比所用参考药物具有更好的结合亲和力，并具有肝脏保护特性。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号