Structural insights for 3H-1,-2,-4 triazolinones as angiotensin II receptor antagonists using QSAR techniques

被引：5

作者：

Parate, Anupama ^{[1
]}

Chaturvedi, S. C. ^{[2
]}

机构：

[1] Devi Ahilya Vishwavidylaya, Sch Pharm, Indore 452017, Madhya Pradesh, India

[2] IPS Acad, Coll Pharm, Indore 452017, Madhya Pradesh, India

来源：

MEDICINAL CHEMISTRY RESEARCH | 2010年 / 19卷 / 04期

关键词：

Angiotensin II receptor antagonists; Antihypertensive; Losartan; QSAR; Triazolinones; NONPEPTIDE ANTAGONISTS; BIOLOGICAL-ACTIVITY; POTENT; AT(1); SERIES;

D O I：

10.1007/s00044-009-9197-5

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A series of 3H-1, -2, -4 triazolinone aryl and nonaryl substituents were subjected to QSAR analysis. Different statistically significant models were obtained, from which the most robust models for QSAR were obtained with r (2) = 0.7968 and q (2) = 0.7164 in model 1 for aryl triazolinones, and r (2) = 0.7499 and q (2) = 0.6290 for nonaryl triazolinones. The physicochemical descriptor HDonorCount and alignment-independent descriptors T_2_N_6, T_2_Cl_6, and T_2_N_4 were found to show significant correlation with biologic activity in aryl triazolinones. PolarSurfaceAreaExcludingPandS, HydrogenCount, and 6ChainCount were significant receptors in the case of nonaryl triazolinones.

引用

页码：375 / 391

页数：17

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