About: Toward development of generic inhibitors against the 3C proteases of picornaviruses

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About: Toward development of generic inhibitors against the 3C proteases of picornaviruses Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : wasabi.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Toward development of generic inhibitors against the 3C proteases of picornaviruses
Creator	Banerjee, Manidipa Singh, R Banerjee, Kamalika Bhat, Ruchika Gangopadhyay, Sohona Jayaram, Bhyravabhotla Nain, Anshu Rallapalli, Kartik Bhaskara Rao, V Jayaram, B
Source	Medline; PMC
abstract	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.
has issue date	2018-12-10(xsd:dateTime)
bibo:doi	10.1111/febs.14707
bibo:pmid	30461192
has license	no-cc
sha1sum (hex)	8bf22987fb336f3dbe1e96cd1b8e3b7ab25767f6
schema:url	https://doi.org/10.1111/febs.14707
resource representing a document's title	Toward development of generic inhibitors against the 3C proteases of picornaviruses
has PubMed Central identifier	PMC7164057
has PubMed identifier	30461192
schema:publication	FEBS J
resource representing a document's body	covid:8bf22987fb336f3dbe1e96cd1b8e3b7ab25767f6#body_text
is schema:about of	named entity 'SCREENING' named entity 'Banerjee' named entity 'RMSD' named entity 'Thermo Scientific' named entity 'ion' named entity 'HIV' named entity 'protease' named entity 'catalytic triad' named entity 'protease' named entity 'conjugate gradient' named entity 'HAV' named entity 'assays' named entity 'enzymatic' named entity 'Toward' named entity '3C protease' named entity 'rhinovirus' named entity 'PDB' named entity 'standard error' named entity 'catalytic site' named entity 'substrate binding' named entity 'protease' named entity 'binding site' named entity 'Curve-fitting' named entity 'molecular dynamics' named entity '3C-like protease' named entity 'micromolar' named entity 'HAV' named entity 'free energies' named entity 'hydrogen bonding' named entity 'K i' named entity 'binding affinity' named entity 'recombinantly expressed' named entity 'fluorophore' named entity 'protein' named entity 'Acute Hepatitis' named entity 'free energy' named entity 'HAV' named entity 'drug target' named entity 'barostat' named entity 'small-molecule' named entity 'van der Waals' named entity 'picornavirus' named entity 'Picornaviridae' named entity 'virtual screening' named entity 'V max' named entity 'Poliovirus' named entity 'protease' named entity 'molecular mechanics' named entity 'isatin' named entity 'solvation' named entity 'innate immune' named entity 'ligand complexes' named entity 'genus' named entity 'lactone' named entity 'confidence intervals' named entity 'NPT' named entity 'fluorescence' named entity 'free energy' named entity 'binding energy' named entity 'HAV' named entity 'viral proteins' named entity 'proteases' named entity 'micromolar' named entity 'Coxsackievirus B3' named entity '0.98' named entity 'MTT assay' named entity 'protease' named entity 'Invitrogen' named entity 'algorithm' named entity 'HRV14' named entity 'micromolar' named entity 'HAV'

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