Investigating the binding affinity, molecular dynamics, and ADMET properties of 2,3-dihydrobenzofuran derivatives as an inhibitor of fungi, bacteria, and virus protein

Investigating the binding affinity, molecular dynamics, and ADMET properties of 2,3-dihydrobenzofuran derivatives as an inhibitor of fungi, bacteria, and virus protein

Abstract Background 2,3-Dihydrobenzofurans (DHB) have proposed as advantages structures, and used as chemical entresol to design small compound libraries. The present study illustrates to explore 2,3-dihydrobenzofurans(DHB) in comparison to selected some derivatives drugs by using molecular docking...

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Bibliographic Details
Main Authors: Ashutosh Nath, Ajoy Kumer, Fahmida Zaben, Md. Wahab Khan
Format: Article
Language:English
Published: SpringerOpen 2021-06-01
Series:Beni-Suef University Journal of Basic and Applied Sciences
Subjects:
2,3-Dihydrobenzofuran
Molecular docking
Molecular dynamic simulation
Binding affinity
Online Access:https://doi.org/10.1186/s43088-021-00117-8

Internet

https://doi.org/10.1186/s43088-021-00117-8

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