Conformational analysis and geometry optimization of buspirone-A 5-HT1A receptor agonist

被引：0

作者：

Ikram, Huma ^{[1
]}

Azhar, Muhammad ^{[2
]}

Jameel, Muhammad ^{[2
]}

Bano, Khalida ^{[1
]}

机构：

[1] Univ Karachi, Dept Biochem, Karachi, Pakistan

[2] Univ Karachi, Dept Phys, Karachi, Pakistan

来源：

PAKISTAN JOURNAL OF PHARMACEUTICAL SCIENCES | 2014年 / 27卷 / 05期

关键词：

Buspirone; geometry Optimization; conformational analysis; Arguslab; 4.0.1; GENERALIZED ANXIETY DISORDER; DOUBLE-BLIND; DRUG; AUGMENTATION; SOLVATION;

D O I：

暂无

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

Buspirone, a partial 5-HT1A receptor agonist, is a clinically prescribed anxiolytic. In the present study, conformational analysis and geometry optimization of buspirone were done as per Hartree-Fock (HF) calculation method by Argus Lab 4.0.1 software. The minimum potential energy was calculated by geometry convergence function by Argus Lab software. The results indicate that the best conformation of molecule is present at minimum potential energy of-100679.5513 kcal/mol. At this point, buspirone will be more active.

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页码：1515 / 1522

页数：8

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