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一些新的对羟基苯甲酰肼衍生物的合成、降压活性和 3D-QSAR 研究。

Synthesis, antihypertensive activity, and 3D-QSAR studies of some new p-hydroxybenzohydrazide derivatives.

机构信息

Department of Pharmaceutical Chemistry, Sharad Pawar College of Pharmacy, Nagpur, MS, India.

出版信息

Arch Pharm (Weinheim). 2011 Feb;344(2):119-34. doi: 10.1002/ardp.201000008. Epub 2010 Dec 22.

Abstract

p-Hydroxybenzohydrazide 2 on treatment with aromatic/aliphatic aldehyde followed by cyclization with carbon disulphide afforded compounds 4a-4n. Also, compound 2 by treatment of substituted isothiocyanate followed by the treatment of chloroacetic acid yields the corresponding compounds 6a-6i. All the test compounds were assayed for antihypertensive activity by non-invasive blood pressure measurement and invasive blood pressure measurement methods. The test compounds showed significant antihypertensive activity. The intact compounds were subjected to 3D-QSAR studies. The 3D-QSAR analysis was carried out by PHASE program and a statistically reliable model with good predictive power (r(2)  = 0.98, q(2)  = 0.74) was achieved. The 3D-QSAR plots illustrated insights into the structure-activity relationship of these compounds which may aid in the design of potent p-hydroxybenzohydrazide derivatives as antihypertensive agents.

摘要

对羟基苯甲酰肼 2 与芳香族/脂肪族醛反应,然后与二硫化碳环化,得到化合物 4a-4n。此外,化合物 2 与取代异硫氰酸酯反应,然后与氯乙酸反应,得到相应的化合物 6a-6i。所有测试化合物均通过非侵入性血压测量和侵入性血压测量方法进行抗高血压活性测试。测试化合物显示出显著的抗高血压活性。完整的化合物进行了 3D-QSAR 研究。3D-QSAR 分析由 PHASE 程序进行,并得到了一个具有良好预测能力的统计可靠模型(r(2) = 0.98,q(2) = 0.74)。3D-QSAR 图说明了这些化合物的结构-活性关系的见解,这可能有助于设计有效的对羟基苯甲酰肼衍生物作为抗高血压药物。

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