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5-[2-(2-甲基丙烯基)-1H-苯并咪唑-1-基]-4,6-二苯基嘧啶-2-(5H)-硫酮衍生物作为抗菌剂的合成及定量构效关系研究

Synthesis and QSAR studies on 5-[2-(2-methylprop1-enyl)-1H benzimidazol-1yl]-4,6-diphenyl-pyrimidin-2-(5H)-thione derivatives as antibacterial agents.

作者信息

Sharma P, Kumar A, Sharma M

机构信息

School of chemical sciences, Devi-Ahilya university, Indore, India.

出版信息

Eur J Med Chem. 2006 Jul;41(7):833-40. doi: 10.1016/j.ejmech.2006.03.022. Epub 2006 May 26.

Abstract

A new series of 5-[2-(2-methylprop1-enyl)-1H benzimidazol-1yl]-4,6-diphenyl-pyrimidin-2-(5H)-thione derivatives [3a-q] has been synthesized and subjected to evaluate their antibacterial properties. All the synthesized compounds of the series displayed, remarkable activity in comparison to standard drug (ampicillin). A number of descriptors were tested to adjudge a quantitative correlation between activity and structural features. However, significant correlations have emerged between activity and physicochemical parameters viz. polarizability parameter (MR). Moreover, results are interpreted on the basis of multiple regression and cross-validation methodology.

摘要

合成了一系列新的5-[2-(2-甲基丙烯基)-1H-苯并咪唑-1-基]-4,6-二苯基嘧啶-2-(5H)-硫酮衍生物[3a-q],并对其抗菌性能进行了评估。该系列所有合成化合物与标准药物(氨苄青霉素)相比均表现出显著活性。测试了多个描述符以判定活性与结构特征之间的定量相关性。然而,活性与物理化学参数即极化率参数(MR)之间出现了显著相关性。此外,基于多元回归和交叉验证方法对结果进行了解释。

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