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* Scientific Article * Impact Factor 6.630 |
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Сhoriev, O. I., Ibragimov, A. B., Ashurov, J. M., & Eshimbetov, A. G.
DFT study of the cocrystal between Favipiravir and Lamivudine. |
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Full Article: PDF
Scientific Object Identifier: http://s-o-i.org/1.1/TAS-09-101-91
DOI: https://dx.doi.org/10.15863/TAS.2021.09.101.91
Language: English
Citation: Сhoriev, O. I., Ibragimov, A. B., Ashurov, J. M., & Eshimbetov, A. G. (2021). DFT study of the cocrystal between Favipiravir and Lamivudine. ISJ Theoretical & Applied Science, 09 (101), 678-682. Soi: http://s-o-i.org/1.1/TAS-09-101-91 Doi: https://dx.doi.org/10.15863/TAS.2021.09.101.91 |
Pages: 678-682
Published: 30.09.2021
Abstract: The DFT method was used to analyze some quantum-chemical parameters of known drugs - Favipiravir and Lavimidine and their co-crystals. And also an analysis of the surface of the electrostatic potential of the co-crystal and its main components was carried out. Furthemore, non-covalent interactions of cocrystal is visualized using MultiWFN and VMD program packages.
Key words: Favipiravir, Lavumidine, DFT, QSP, NCI, HOMO, LUMO.
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