Quantitative Structure-Activity Analysis of 1,3,5-Trisubstituted Pyrazoline Derivatives as Monoamine Oxidase Inhibitors

被引：0
|
作者：
Mishra, Vikash [1 ]
Kashaw, Sushil K. [1 ]
Kumar, Ajay [2 ]
机构：
[1] Dr Hari Singh Gour Vishwavidyalaya, Pharmaceut Chem Div, Dept Pharmaceut Sci, Sagar 470003, India
[2] CSJM Univ, Inst Pharm, Kanpur 208024, Uttar Pradesh, India
来源：
ASIAN JOURNAL OF CHEMISTRY | 2011年 / 23卷 / 10期
关键词：
QSAR; Pyrazoline derivatives; Monoamine oxidase inhibitors;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Quantitative structure activity relationship (QSAR) study has been performed on twenty four derivatives of 1,3,5-trisubstituted pyrazolines for identifying important physicochemical properties responsible for their binding affinity towards monoamineoxidase enzyme. QSAR study was performed using various physicochemical (hydrophobic, electronic, steric, etc.) parameters as independent variables and monoamine oxidase inhibitory activity as dependent parameter. The 2D QSAR studies revealed that the activity is mainly influenced by hydrophobicity parameter, where the hydrophobicity (log P) contributes negatively and polorizability parameter (MR) contributes positively towards the biological activity. All derived models display satisfactory correlation coefficient (>0.7).
引用
收藏
页码：4377 / 4379
页数：3
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