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Toward development of generic inhibitors against the 3C proteases of picornaviruses
被引:10
|作者:
Banerjee, Kamalika
[1
]
Bhat, Ruchika
[2
,3
]
Rao, V. U. Bhaskara
[2
]
Nain, Anshu
[1
]
Rallapalli, Kartik Lakshmi
[2
,4
]
Gangopadhyay, Sohona
[2
,5
]
Singh, R. P.
[2
]
Banerjee, Manidipa
[1
]
Jayaram, Bhyravabhotla
[1
,2
,3
]
机构:
[1] Indian Inst Technol, Kusuma Sch Biol Sci, Hauz Khas, India
[2] Indian Inst Technol, Dept Chem, Hauz Khas, India
[3] Indian Inst Technol, Supercomp Facil Bioinformat & Computat Biol, Hauz Khas, India
[4] Univ Calif San Diego, Dept Chem & Biochem, 9500 Gilman Dr, La Jolla, CA 92093 USA
[5] Geol Survey India, Chem Div, 15-16 Jhalana Dungri, Jaipur 302004, Rajasthan, India
关键词:
enzymatic assays;
hepatitis A virus and rhinovirus 3C protease;
picornavirus;
screening of isatins;
structure-based drug design;
A VIRAL-HEPATITIS;
ALDEHYDE INHIBITORS;
ISATIN DERIVATIVES;
ANTIVIRAL ACTIVITY;
CRYSTAL-STRUCTURES;
DRUG DISCOVERY;
ACTIVE-SITE;
IN-VITRO;
PROTEIN;
DESIGN;
D O I:
10.1111/febs.14707
中图分类号:
Q5 [生物化学];
Q7 [分子生物学];
学科分类号:
071010 ;
081704 ;
摘要:
Development of novel antivirals, which requires knowledge of the viral life cycle in molecular detail, is a daunting task, involving extensive investments, and frequently resulting in failure. As there exist significant commonalities among virus families in the manner of host interaction, identifying and targeting common rather than specific features may lead to the development of broadly useful antivirals. Here, we have targeted the 3C protease of Hepatitis A Virus (HAV), a feco-orally transmitted virus of the family Picornaviridae, for identification of potential antivirals. The 3C protease is a viable drug target as it is required by HAV, as well as by other picornaviruses, for post-translational proteolysis of viral polyproteins and for inhibiting host innate immune pathways. Computational screening, followed by chemical synthesis and experimental validation resulted in identification of a few compounds which, at low micromolar concentrations, could inhibit HAV 3C activity. These compounds were further tested experimentally against the 3C protease of Human Rhinovirus, another member of the Picornaviridae family, with comparable results. Computational studies on 3C proteases from other members of the picornavirus family have indicated that the compounds identified could potentially be generic inhibitors for picornavirus 3C proteases.
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页码:765 / 787
页数:23
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