Item
Publication
Molecular insights into the sensing function of an oxidized graphene flake for the adsorption of Avigan antiviral drug
- Title
- Molecular insights into the sensing function of an oxidized graphene flake for the adsorption of Avigan antiviral drug
- Abstract
- The Avigan antiviral drug adsorption by an oxidized form of a graphene flake; so called Ovalene, was investigated using density functional theory calculations to provide molecular insights into the sensing functions of targeted drug delivery issues. The features and stabilized models of Ovalene and Avigan and their three interacting Avigan@Ovalene complexes were obtained. Inter-molecular and intra-molecular communications were found among the models, in which the intra-molecular communications inside Avigan were observed as a preventive factor for formations of strong complexes. Hence, the complex with a weaker intra-molecular interaction was placed at the highest adsorption strength level and that one with a stronger intra-molecular interaction was placed at the lowest level. Based on the results, Ovalene was found as an expected Avigan drug carrier with suitable recovery time and conductance rate to provide a sensing function. Consequently, Avigan@Ovalene complexes were proposed for further investigations regarding the targeted drug delivery issues.
- Scientific Type
- غير معروف
- Journal volume
-
Volume 1227( 2023)
2023 - Collaboration type
- مشترك
- Publish Date
- September 1, 2023
- Participated Universities (Publication)
- Alnoor University
- Scopus status
- In Scopus
- Scopus index year
- 2 023
- Scopus quarter
- 2
- Scopus citation score
- 4
- Clarivate status
- In Clarivate
- Clarivate index year
- 2 023
- Clarivate impafact
- 2.292000055
- Pub. Med. status
- Not In PubMed
- Author (Publication)
- ليث ياسين قاسم يحيى
- Journal (Publication)
- Computational and Theoretical Chemistry
- Publisher (Publication)
- Elsevier
- ISSN
- 2210-271X
- Country (Publication)
- Netherlands
- Country type
- عالمية
- College (Publication)
- College of Health and Medical Technologies
- Departement (Publication)
- Department of Medical laboratories techniques
- Resource class
- Publication
- Item sets
- Publications