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Drug repurposing of Daclatasvir and Famciclovir as antivirals against dengue virus infection by in silico and in vitro techniques

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Title Drug repurposing of Daclatasvir and Famciclovir as antivirals against dengue virus infection by in silico and in vitro techniques
 
Creator P, Naresh
P, Shyam Sundar
K, Girija
SJ, Pradheesh
AG, Shanthoshivan
S, Akashwaran
AK, Swaroop
S, Jubie
 
Subject Dengue virus
Drug repurposing
Envelope protein
Hinge region
Molecular docking
n-Octyl-beta-Dglucopyranoside (βOG)
 
Description 557-564
Drug repurposing is a technique for reusing an existing drug to treat another ailment. It is common knowledge that nearly
all medicines used in human therapy have more than one target impact in addition to their primary action. The present work
is aimed to repurpose existing antiviral drugs for dengue disease. A molecular docking study is performed with the DENVE
protein for the identification of the suitable drug candidate which acts in the fusion process. For all repurposed drugs at the
active site of DENVE, molecular docking experiments were performed using CLC Drug Discovery Workbench Software
(PDB ID: 1OKE). The relative binding modes and the affinities of all the selected drugs were predicted and compared with
the co-crystallized n-octyl-beta-D-glucopyranoside (βOG). The Daclatasvir (Score-53.52) makes hydrogen bonds with
ALA50 and THY48. According to the docking score evaluation, the entire drug candidates had docking result ranging from
−32.15 to −53.52. Among the drugs tested the two drugs namely Daclatasvir and Famciclovir have been identified as HITS
for combating DENVE protein.
 
Date 2021-12-07T06:01:38Z
2021-12-07T06:01:38Z
2021-12
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscair.res.in/handle/123456789/58599
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJBB Vol.58(6) [December 2021]