Investigation of quantum-chemical properties of piroxicam
| dc.contributor.author | Chekman, Ivan | |
| dc.contributor.author | Syrovaya, Anna | |
| dc.contributor.author | Levashova, Olga | |
| dc.contributor.author | Chalenko, Natalia | |
| dc.date.accessioned | 2016-10-25T09:48:54Z | |
| dc.date.available | 2016-10-25T09:48:54Z | |
| dc.date.issued | 2016 | |
| dc.description.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. | ru_RU |
| dc.identifier.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. | ru_RU |
| dc.identifier.uri | https://repo.knmu.edu.ua/handle/123456789/14076 | |
| dc.language.iso | en | ru_RU |
| dc.subject | piroxicam | ru_RU |
| dc.subject | spatial structure | ru_RU |
| dc.subject | quantum-chemical properties | ru_RU |
| dc.title | Investigation of quantum-chemical properties of piroxicam | ru_RU |
| dc.type | Article | ru_RU |