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.

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第一作者： Ajoy,Kumer

第一单位： Laboratory of Computational Research for Drug Design and Material Science, Department of Chemistry, European University of Bangladesh, Dhaka 1216, Bangladesh.;Department of Chemistry, Bangladesh University of Engineering and Technology, Dhaka 1000, Bangladesh.

作者： Ajoy,Kumer ^[1] ; Unesco,Chakma ^[2] ; Md Masud,Rana ^[3] ; Akhel,Chandro ^[4] ; Shopnil,Akash ^[5] ; Mona M,Elseehy ^[6] ; Sarah,Albogami ^[7] ; Ahmed M,El-Shehawi ^[7]

作者单位： Laboratory of Computational Research for Drug Design and Material Science, Department of Chemistry, European University of Bangladesh, Dhaka 1216, Bangladesh.;Department of Chemistry, Bangladesh University of Engineering and Technology, Dhaka 1000, Bangladesh. ^[1] Department of Electrical and Electronics Engineering, European University of Bangladesh, Gabtoli, Dhaka 1216, Bangladesh. ^[2] Department of Fishing and Post Harvest Technology, Sher-e-Bangla Agricultural University, Dhaka 1207, Bangladesh. ^[3] Department of Poultry Science, Faculty of Animal Science & Veterinary Medicine, Sher-e-Bangla Agricultural University, Dhaka 1207, Bangladesh. ^[4] Department of Pharmacy, Daffodil International University, Sukrabad, Dhaka 1207, Bangladesh. ^[5] Department of Genetics, Faculty of Agriculture, University of Alexandria, Alexandria 21545, Egypt. ^[6] Department of Biotechnology, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia. ^[7]

关键词 ADMET DFT HOMO LUMO WSSV docking molecular dynamic

主题词动物(Animals);配体(Ligands);分子动力学模拟(Molecular Dynamics Simulation);磺胺嘧啶(Sulfadiazine);白斑综合征病毒1(White spot syndrome virus 1)

DOI 10.3390/molecules27123694

PMID 35744817

发布时间 2022-07-16

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