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

Huma Ikram; Muhammad Azhar; Muhammad Jamee; Khalida Bano

Please use this identifier to cite or link to this item: http://142.54.178.187:9060/xmlui/handle/123456789/16317

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DC Field	Value	Language
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
Appears in Collections:	Issue No.5 (Special)

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