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

dc.contributor.author	Huma Ikram
dc.contributor.author	Muhammad Azhar
dc.contributor.author	Muhammad Jamee
dc.contributor.author	Khalida Bano
dc.date.accessioned	2023-01-20T06:59:40Z
dc.date.available	2023-01-20T06:59:40Z
dc.date.issued	2014-09-17
dc.identifier.citation	Ikram, H., Azhar, M., Jameel, M., & Bano, K. (2014). Conformational analysis and geometry optimization of buspirone-A 5-HT1A receptor agonist. Pakistan journal of pharmaceutical sciences, 27(5), 1515-1522.	en_US
dc.identifier.issn	1011-601X
dc.identifier.uri	http://142.54.178.187:9060/xmlui/handle/123456789/16317
dc.description.abstract	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 of100679.5513 kcal/mol. At this point, buspirone will be more active.	en_US
dc.language.iso	en	en_US
dc.publisher	Karachi: Faculty of Pharmacy, University of Karachi	en_US
dc.subject	Buspirone	en_US
dc.subject	geometry	en_US
dc.subject	optimization	en_US
dc.subject	conformational analysis	en_US
dc.title	Conformational analysis and geometry optimization of buspirone-A 5-HT1A receptor agonist	en_US
dc.type	Article	en_US