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Title: Investigation of quantum-chemical properties of piroxicam
Authors: Chekman, Ivan Sergeevich
Syrovaya, Anna Olegovna
Levashova, Olga Leonidovna
Chalenko, Natalia Nikolaevna
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.
Appears in Collections:Наукові праці. Кафедра медичної та біоорганічної хімії

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