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Identification of Linked NS2B-NS3 Protease Conformation of the Zika Virus with Allosteric Bioactive Compound Antagonists (article of International Journal of Pharma Research and Health Sciences 2018 Vol.6 No.1 p.2269-2275)
Bibliografi
Author:
Prasasty, Vivitri Dewi
;
Barus, Tati
;
Ardiyani, Yovita
;
Ivan, Fransiskus Xaverius
Topik:
NS3-NS2B protease
;
Zika virus
;
inhibitors
;
molecular docking
;
JABFUNG-FTB-TB-2021-13
Bahasa:
(EN )
Penerbit:
Pharmahealthsciences Scientific House
Tempat Terbit:
Andhrapradesh, India
Tahun Terbit:
2018
Jenis:
Article - diterbitkan di jurnal ilmiah internasional
Fulltext:
B13. Karya Ilmiah Identification of Linked NS2B-NS3 Protease.pdf
(343.24KB;
3 download
)
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Abstract
The quickly spreading of diseases that are triggered by Zika virus such as Guillain-Barre syndrome and microcephaly in infants making Zika virus becomes one of the International Public Health Emergency concern. The aim of this study was to analyze the best candidate ligands which can be used as inhibitors of linked NS3-NS2B protease of Zika virus in silico. Inhibitory activity assay of 10 bioactive compounds against linked NS3-NS2B protein of Zika virus (PDB ID: 5H4I) was done by Autodock Flexible Receptor (ADFR). The best molecule as a candidate competitive inhibitor of linked NS3-NS2B protease catalytic triad was PHA-690509 (-11.71 kcal/mol) with the inhibition constant (Ki) value was 0.002553 µM. Understanding in silico virtual screening approaches will be important in improving the discovery of effective inhibitors of Zika viral targets.
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