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http://repo.knmu.edu.ua/handle/123456789/14076| Title: | Investigation of quantum-chemical properties of piroxicam |
| Authors: | Chekman, Ivan Syrovaya, Anna Levashova, Olga Chalenko, Natalia |
| Keywords: | piroxicam spatial structure quantum-chemical properties |
| Issue Date: | 2016 |
| Citation: | Investigation of quantum-chemical properties of piroxicam / I. S. Chekman, A. O. Syrovaya, O. L. Levashova, N. N. Chalenko // European Applied Sciences. – 2016. – Vol. 5/6. – P. 81–84. |
| Abstract: | piroxicam is a nonsteroidal anti-inflammatory drug that is commonly used in medical practice. We have studied the quantum-chemical properties of piroxicam, which are vital for understanding of mechanisms of biological and pharmacological activity at a molecular level. The geometry optimization for piroxicam molecule was performed by PM3 method, Polak-Ribiere algorithm. We have determined the distance between atoms, total charge density, characteristics of molecular orbitals (HOMO, LUMO) of piroxicam molecule. Established quantum-chemical properties of piroxicam molecule are the basis of molecular mechanisms of its anti-inflammatory and analgesic action. |
| URI: | https://repo.knmu.edu.ua/handle/123456789/14076 |
| Appears in Collections: | Наукові праці. Кафедра медичної та біоорганічної хімії |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| EAS_5-6_2016.pdf_extract.pdf | 149,91 kB | Adobe PDF |  View/Open |
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