The iron group transition-metal (Fe, Ru, Os) coordination of Se-doped graphitic carbon (Se@g-C<sub>3</sub>N<sub>4</sub>) nanostructures for the smart therapeutic delivery of zidovudine (ZVD) as an antiretroviral drug: a theoretical calculation perspective-Reference-Cited by-同舟云学术

The iron group transition-metal (Fe, Ru, Os) coordination of Se-doped graphitic carbon (Se@g-C₃N₄) nanostructures for the smart therapeutic delivery of zidovudine (ZVD) as an antiretroviral drug: a theoretical calculation perspective

Published:2023 Issue:48 Volume:13 Page:34078-34096
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Nelson Favour A.¹²,Louis Hitler¹²³^ORCID,Benjamin Innocent¹⁴^ORCID,A. Timothy Rawlings¹²

Affiliation:

1. Computational and Bio-simulation Research Group, University of Calabar, Calabar, Nigeria

2. Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria

3. Centre for Herbal Pharmacology and Environmental Sustainability, Chettinad Hospital and Research Institute, Chettinad Academy of Research and Education, Kelambakkam 603103, Tamil Nadu, India

4. Department of Microbiology, University of Calabar, Calabar, Nigeria

Abstract

This study employed DFT computational techniques at the ωB97XD/def2svp level of theory to explore the electronic behavior of Fe-group transition metal (Fe, Ru, Os) coordination of Se-doped graphitic carbon (Se@g-C3N4) nanosystems in the smart delivery of zidovudine (ZVD), an antiretroviral drug.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA06885D

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