Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study

Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study

The α-D-glucopyranoside and its derivatives were as the cardinal investigation for developing an effective medication to treat the highest deadly white spot syndrome virus (WSSV) diseases in Shrimp. In our forthcoming work, both computational tools, such as molecular docking, quantum calculations, p...

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Bibliographic Details
Main Authors: Ajoy Kumer, Unesco Chakma, Md Masud Rana, Akhel Chandro, Shopnil Akash, Mona M. Elseehy, Sarah Albogami, Ahmed M. El-Shehawi
Format: Article
Language:English
Published: MDPI AG 2022-06-01
Series:Molecules
Subjects:
DFT
HOMO
LUMO
docking
molecular dynamic
WSSV
Online Access:https://www.mdpi.com/1420-3049/27/12/3694

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