Structure activity relationship (SAR) and quantitative structure activity relationship (QSAR) studies showed plant flavonoids as potential inhibitors of dengue NS2B-NS3 protease.

Muhammad Waseem SarwarAdeel RiazSyed Muhammad Raihan DilshadAhmed Al-QahtaniMuhammad Shah Nawaz-Ul-RehmanMuhammad Mubin

Published in: BMC structural biology (2018)

We hereby suggest that plant flavonoids could be used as potent inhibitors of dengue NS2B-NS3 protein and can be used as antiviral agents against dengue virus. Out of more than hundred plant flavonoids, ten flavonoid structures are presented in this study. On the basis of best docking results, QSAR and SAR studies were performed. These flavonoids can directly work as anti-dengue drug or with little modifications in their structures.

Keyphrases

dengue virus
structure activity relationship
zika virus
aedes aegypti
high resolution
protein protein
molecular dynamics
case control
cell wall
emergency department
small molecule
adverse drug