Hansch analysis for the prediction of antimycobacterial activity of ofloxacin derivatives

被引：7
作者：
Judge, Vikramjeet [2 ]
Narang, Rakesh [2 ]
Sharma, Deepika [3 ]
Narasimhan, Balasubramanian [1 ]
Kumar, Pradeep [1 ]
机构：
[1] Maharshi Dayanand Univ, Fac Pharmaceut Sci, Rohtak 124001, Haryana, India
[2] Guru Jambheswar Univ Sci & Technol, Dept Pharmaceut Sci, Hisar 125001, Haryana, India
[3] Panjab Univ, Univ Inst Pharmaceut Sci, Chandigarh 160014, India
来源：
MEDICINAL CHEMISTRY RESEARCH | 2011年 / 20卷 / 07期
关键词：
QSAR; Ofloxacin derivatives; Antimycobacterial; LUMO; QUANTITATIVE STRUCTURE; MYCOBACTERIUM-TUBERCULOSIS; ANTIMICROBIAL ACTIVITY; QSAR; ANTIBACTERIAL; ACID; INDEXES; DESIGN; DRUGS;
D O I：
10.1007/s00044-010-9400-8
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
The present study was attempted to predict the antimycobacterial activity of ofloxacin derivatives. The QSAR results indicated the importance of electronic properties of molecules viz. energy of the lowest unoccupied molecular orbital (LUMO), total energy (T (e)), dipole moment (mu) and the topological parameter, third order shape index Kappa (kappa(3)) in describing the antimycobacterial activity of ofloxacin derivatives. The validity of developed models has been supported by significant statistical parameters.
引用
收藏
页码：826 / 837
页数：12
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