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Methods for the Discovery of Novel Compounds Modulating a Gamma-Aminobutyric Acid Receptor Type A Neurotransmission
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对比新的第二代H1受体阻塞剂与一些分子;一项涉及DFT,分子对接,ADMET,生物标和活动的研究

Velid Unsal1, Erkan Oner2, Reşit Yıldız3

  • 1Department of Nutrition and Dietetics, Faculty of Health Sciences, Mardin Artuklu University, 47100, Mardin, Türkiye. velidunsal@artuklu.edu.tr.

BMC chemistry
|January 4, 2025
PubMed
概括

这项研究通过计算方式比较了H1抗组胺剂和用于过敏治疗的天然化合物. CAPE和Quercetin显示出有前途的绑定亲和性和安全性,这表明新药开发的潜力.

关键词:
接收人 接收人抗过敏分子的抗过敏分子.生物目标生物目标在 DFT 方面,它是最重要的.作为H1受体阻断剂的使用.分子对接是分子对接.

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