DFT/TDDFT calculations of geometry optimization, electronic structure and spectral properties of clevudine and telbivudine for treatment of chronic hepatitis B

DFT/TDDFT calculations of geometry optimization, electronic structure and spectral properties of clevudine and telbivudine for treatment of chronic hepatitis B

Abstract Chronic hepatitis B remains a worldwide health concern. Presently, many drugs, such as Clevudine and Telbivudine, are recommended for the treatment of chronic hepatitis B disease. For this purpose, the quantum chemical analysis of ELUMO-HOMO (Egap), ionization potential (IP), electron affin...

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Bibliographic Details
Main Authors: Dereje Fedasa Tegegn, Habtamu Zewude Belachew, Ayodeji Olalekan Salau
Format: Article
Language:English
Published: Nature Portfolio 2024-04-01
Series:Scientific Reports
Subjects:
Density functional theory
Electronic structure
Clevudine
Telbivudine
Online Access:https://doi.org/10.1038/s41598-024-58599-2

Internet

https://doi.org/10.1038/s41598-024-58599-2

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