About: Evaluation of the Antiviral Potential of Halogenated Dihydrorugosaflavonoids and Molecular Modeling with nsP3 Protein of Chikungunya Virus (CHIKV)

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About: Evaluation of the Antiviral Potential of Halogenated Dihydrorugosaflavonoids and Molecular Modeling with nsP3 Protein of Chikungunya Virus (CHIKV) 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	Evaluation of the Antiviral Potential of Halogenated Dihydrorugosaflavonoids and Molecular Modeling with nsP3 Protein of Chikungunya Virus (CHIKV)
Creator	Tomar, Shailly Rani, Ruchi Srivastava, Pratibha Puntambekar, Hemalata Puranik, Ninad Singh, Anand Vedita, ∥
Source	PMC
abstract	[Image: see text] Antiviral therapy is crucial for the circumvention of viral epidemics. The unavailability of a specific antiviral drug against the chikungunya virus (CHIKV) disease has created an alarming situation to identify or develop potent chemical molecules for remedial management of CHIKV. In the present investigation, in silico studies of dihydrorugosaflavonoid derivatives (5a–f) with non-structural protein-3 (nsP3) were carried out. nsP3 replication protein has recently been considered as a possible antiviral target in which crucial inhibitors fit into the adenosine-binding pocket of the macrodomain. The 4′-halogenated dihydrorugosaflavonoids displayed intrinsic binding with the nsp3 macrodomain (PDB ID: 3GPO) of CHIKV. Compounds 5c and 5d showed docking scores of −7.54 and −6.86 kcal mol(–1), respectively. Various in vitro assays were performed to confirm their (5a–f) antiviral potential against CHIKV. The non-cytotoxic dose was determined by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay and was found to be <100 μM. The compounds 5c and 5d showed their inhibitory potential for CHIKV, which was determined through cytopathic effect assay and plaque reduction assay, which show inhibition up to 95 and 92% for 70 μM concentration of the compounds, respectively. The quantitative real-time polymerase chain reaction assay result confirmed the ability of 5c and 5d to reduce the viral RNA level at 70 μM concentration of compounds to nearly 95 and 93% concentration, respectively, in cells with CHIKV infection. Further, the CHIKV-inhibitory capacity of these compounds was corroborated by execution of immunofluorescence assay. The executed work will be meaningful for the future research of studied dihydrorugosaflavonoids against prime antiviral entrants, leading to remedial management to preclude CHIKV infection.
has issue date	2019-11-18(xsd:dateTime)
bibo:doi	10.1021/acsomega.9b02900
bibo:pmid	31815237
has license	no-cc
sha1sum (hex)	e1dc3ea3a7ad4303e6e57417de0daee78e31d5bb
schema:url	https://doi.org/10.1021/acsomega.9b02900
resource representing a document's title	Evaluation of the Antiviral Potential of Halogenated Dihydrorugosaflavonoids and Molecular Modeling with nsP3 Protein of Chikungunya Virus (CHIKV)
has PubMed Central identifier	PMC6893968
has PubMed identifier	31815237
schema:publication	ACS Omega
resource representing a document's body	covid:e1dc3ea3a7ad4303e6e57417de0daee78e31d5bb#body_text
is schema:about of	named entity 'CHIKUNGUNYA VIRUS' named entity 'PROTEIN ' named entity 'scores' named entity 'assay' named entity 'inhibitors' named entity 'carried' named entity 'specific' named entity 'pocket' named entity 'Protein' named entity 'Potential' named entity 'MOLECULAR MODELING' named entity 'PERFORMED' named entity 'CONCENTRATION' named entity 'CELLS' named entity 'CHIKV INFECTION' named entity 'UNAVAILABILITY OF' named entity 'TO IDENTIFY' named entity 'CREATED' named entity 'REPLICATION PROTEIN' named entity '927' named entity 'NEARLY' named entity 'TARGET' named entity 'MOLECULES' named entity 'DETERMINED BY' named entity 'CARRIED' named entity 'VIRAL RNA' named entity 'PROTEIN ' named entity 'QUANTITATIVE REAL-TIME POLYMERASE CHAIN REACTION' named entity 'NSP3' named entity 'CONCENTRATION OF' named entity 'CYTOTOXIC' named entity '2C5' named entity 'PLAQUE' named entity 'CONSIDERED' named entity 'SCORES' named entity 'INVESTIGATION' named entity 'REAL-TIME POLYMERASE CHAIN REACTION ASSAY' named entity 'ASSAY RESULT' named entity 'WORK' named entity 'DETERMINED' named entity 'RECENTLY' named entity 'CYTOPATHIC EFFECT' named entity 'INHIBITORY POTENTIAL' named entity 'DISEASE' named entity 'EXECUTION' named entity 'ANTIVIRAL' named entity 'FIT' named entity 'MOL' named entity 'LEADING' named entity '921' named entity 'PRIME' named entity 'INTRINSIC' named entity 'BROMIDE' named entity 'ABILITY' named entity 'THESE' named entity 'FUTURE' named entity 'RESEARCH' named entity 'IN VITRO' named entity 'STUDIES' named entity 'PRESENT' named entity 'STRUCTURAL PROTEIN' named entity 'POTENTIAL' named entity 'CHIKUNGUNYA VIRUS' named entity 'IN SILICO' named entity 'IMMUNOFLUORESCENCE ASSAY' named entity 'CHEMICAL' named entity 'DOSE' named entity 'NON-' named entity 'VARIOUS' named entity 'ANTIVIRAL THERAPY' named entity 'ANTIVIRAL' named entity 'SITUATION' named entity 'EVALUATION' named entity 'POTENTIAL' named entity 'INHIBITION'

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