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OJVRTM

 

Online Journal of Veterinary Research©

(Including Medical and Laboratory Research)

Established 1994

ISSN 1328-925X

 

Volume 28 (12): 827-852, 2024.

Repositioning drugs to block proteolytic cleavage of Dengue virus

by inhibition of NS2B-NS3 polyprotein.

 

Hrithika Panday1, Saurabh Kumar Jha2, Vivek Dhar Dwivedi3,4, Abhimanyu Kumar Jha1,5

 

1Department of Biotechnology, School of Engineering & Technology, Sharda University, Greater Noida, 2Department of Zoology, Kalindi College University of Delhi, Delhi, 3Saveetha Medical College and Hospitals, Center for Global Health Research, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, 4Bioinformatics Research Division, Quanta Calculus, Greater Noida, 5Department of Biotechnology, School of Biosciences and Technology, Galgotias University, Greater Noida, India

 

ABSTRACT

 

Panday H, Jha SK, Dwivedi VD, Jha AK., Repositioning drugs to block proteolytic cleavage of Dengue virus by inhibition of NS2B-NS3 polyprotein. Onl J Vet Res., 28 (12): 827-852, 2024. Dengue induces mild fever, hemorrhagic fever and shock syndrome. NS2B-NS3 protease non-structural protein is involved in its replication. We selected viral protease inhibitors by high throughput screening to select Stachyose, Amikacin, Kanamycin, and Proanthocyanidin with  -12.88 to -10.25 docking and -75.36 to -64.73kcal/mol binding free energy scores.  In contrast, reference drugs were BEZ -4.6 and Policresulen -8.1 kcal/mol. Post-docking binding scores for the selected compounds were -75.36, -68.71, -62.29 and -64.73 kcal/mol and docking scores of -7.0, -7.0, -7.1, and -8.6 kcal/mol, respectively.

 

Keywords- Protease, Dengue, Repurposing, in-silico studies, FDA-approved drugs.

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