Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach

Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach Publisher

Harismah K¹ ; Shahrtash SA² ; Arabi AR³ ; Khadivi R⁴ ; Mirzaei M⁵ ; Akhavansigari R^{6, 7}

Show Affiliations

1. Department of Chemical Engineering, Faculty of Engineering, Universitas Muhammadiyah Surakarta, Surakarta, Indonesia
2. Department of Pharmaceutical Engineering, Alborz Campus, University of Tehran, Tehran, Iran
3. Centre for Processing and Characterization of Nanostructured Materials, School of Mechanical Engineering, University of Tehran, Tehran, Iran
4. Department of Applied Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran
5. Isfahan University of Medical Sciences, Isfahan, Iran
6. Department of Neurosurgery, University Medical Center Tuebingen, Tuebingen, Germany
7. Department of Health Care Management and Clinical Research, Collegium Humanum Warsaw Management University, Warsaw, Poland

Source: Computational and Theoretical Chemistry Published:2022

Abstract

Density functional theory (DFT) quantum calculations were performed to investigate attachment of favipiravir (FAV) to a conical nanocarbon (FCN) for assessments of the drug delivery approach. The continuous negative impacts of COVID-19 made an urgent of performing further investigations on developing its medication processes, in which FAV has been one of proposed drugs of medication of COVID-19. To this aim, the attachment of FAV to FCN was investigated in this work for showing benefits of such FAV@FCN complex formations. The apex of conical nanocarbon was doped by an iron atom to make an active site of interactions, in which three configurations of FAV versus FCN were obtained with different levels of strength and electronic features. In this regard, details of interactions were examined by the quantum theory of atoms in molecules (QTAIM). As a consequence, the investigated models of FAV@FCN could be proposed for drug delivery purposes. © 2022 Elsevier B.V.

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Experts (# of related papers)

Elham Jafari (1)

Style	Citing Format
MLA	Harismah K, et al.. "Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach." Computational and Theoretical Chemistry, vol. 1216, no. , 2022, pp. -.
APA	Harismah K, Shahrtash SA, Arabi AR, Khadivi R, Mirzaei M, Akhavansigari R (2022). Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach. Computational and Theoretical Chemistry, 1216(), -.
Chicago	Harismah K, Shahrtash SA, Arabi AR, Khadivi R, Mirzaei M, Akhavansigari R. "Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach." Computational and Theoretical Chemistry 1216, no. (2022): -.
Harvard	Harismah K et al. (2022) 'Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach', Computational and Theoretical Chemistry, 1216(), pp. -.
Vancouver	Harismah K, Shahrtash SA, Arabi AR, Khadivi R, Mirzaei M, Akhavansigari R. Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach. Computational and Theoretical Chemistry. 2022;1216():-.
BibTex	@article{ author = {Harismah K and Shahrtash SA and Arabi AR and Khadivi R and Mirzaei M and Akhavansigari R}, title = {Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach}, journal = {Computational and Theoretical Chemistry}, volume = {1216}, number = {}, pages = {-}, year = {2022} }
RIS	TY - JOUR AU - Harismah K AU - Shahrtash SA AU - Arabi AR AU - Khadivi R AU - Mirzaei M AU - Akhavansigari R TI - Favipiravir Attachment to a Conical Nanocarbon: Dft Assessments of the Drug Delivery Approach JO - Computational and Theoretical Chemistry VL - 1216 IS - SP - EP - PY - 2022 ER -

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