Selected article for: "backbone molecule and bind site"
Author: Deepak Kumar; Nitin Sharma; Murali Aarthy; Sanjeev Singh; Rajanish Giri
Title: Mechanistic insights into Zika virus NS3 helicase inhibition by Epigallocatechin-3-gallate: Supplementary Files
  • Document date: 2019_1_26
    • ID: k11iupe0_27
    Snippet: In summary, our extensive docking and simulation analysis is showing that EGCG can bind strongly to the NTPase site and can inhibit the activity of ZIKV NS3 helicase more precisely supported by invitro enzyme kinetics assays. Also, EGCG can form the significant binding interactions at RNA site revealed by computational tools. Interestingly, the comparison with previous studies illustrate that EGCG can target multiple viral protein such as envelop.....
    Document: In summary, our extensive docking and simulation analysis is showing that EGCG can bind strongly to the NTPase site and can inhibit the activity of ZIKV NS3 helicase more precisely supported by invitro enzyme kinetics assays. Also, EGCG can form the significant binding interactions at RNA site revealed by computational tools. Interestingly, the comparison with previous studies illustrate that EGCG can target multiple viral protein such as envelope (16) , protease (37) and now more precisely helicase. Since EGCG has shown virucidal effect against several viruses, therefore EGCG backbone could be used to develop a broad-spectrum antiviral molecule in near future.

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