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新型1,8-萘啶-3-羧酸类似物的设计、研究与合成及其H1R拮抗作用评估

Design, studies, and synthesis of new 1,8-naphthyridine-3-carboxylic acid analogues and evaluation of their H1R antagonism effects.

作者信息

Gurjar Vinod Kumar, Pal Dilipkumar

机构信息

Department of Pharmaceutical Sciences, Guru Ghasidas Vishwavidyalaya (A Central University) Bilaspur-495 009 CG India

出版信息

RSC Adv. 2020 Apr 6;10(23):13907-13921. doi: 10.1039/d0ra00746c. eCollection 2020 Apr 1.

DOI:10.1039/d0ra00746c
PMID:35493018
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9051541/
Abstract

New 1,8-naphthyridine-3-carboxylic acid derivatives were designed, synthesized and evaluated for their antihistaminic activity on guinea pig trachea by using chlorpheniramine as the standard drug. It was found that compound 5a1 displayed a promising bronchorelaxant effect in conscious guinea pigs using the model. A molecular docking study was performed to understand the molecular interaction and binding mode of the compounds in the active site of the H1 receptor. Furthermore, computational studies were also performed to predict the binding modes and pharmacokinetic parameters of these derivatives. Prior to the start of experimental lab work, PASS software was used to predict the biological activities of these compounds. An PASS, Swiss ADME assisted docking approach was found to be suitable to derive and synthesize effective antihistaminic agents for the present study.

摘要

设计、合成了新型1,8-萘啶-3-羧酸衍生物，并以氯苯那敏为标准药物，评价了它们对豚鼠气管的抗组胺活性。结果发现，化合物5a1在该模型中对清醒豚鼠显示出有前景的支气管舒张作用。进行了分子对接研究，以了解化合物在H1受体活性位点的分子相互作用和结合模式。此外，还进行了计算研究，以预测这些衍生物的结合模式和药代动力学参数。在实验实验室工作开始之前，使用PASS软件预测这些化合物的生物活性。发现一种PASS、瑞士ADME辅助对接方法适合于为本研究推导和合成有效的抗组胺剂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea81/9051541/87853b8091ea/d0ra00746c-f6.jpg
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2
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3
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Curr Med Chem. 2017;24(39):4340-4359. doi: 10.2174/0929867324666170724101448.
4
Software for molecular docking: a review.分子对接软件综述
Biophys Rev. 2017 Apr;9(2):91-102. doi: 10.1007/s12551-016-0247-1. Epub 2017 Jan 16.
5
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Sci Rep. 2017 Mar 3;7:42717. doi: 10.1038/srep42717.
6
The role and choice criteria of antihistamines in allergy management - expert opinion.抗组胺药在过敏管理中的作用及选择标准——专家意见
Postepy Dermatol Alergol. 2016 Dec;33(6):397-410. doi: 10.5114/pdia.2016.63942. Epub 2016 Dec 2.
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