Quercetin from Miana Leaf (Coleus Scutellarioides) Extract as Inhibitor of Dengue Virus NS5 Protein

EasyChair Preprint 7121

Abstract

This study aimed to examine the Quercetin compound from Miana (Coleus Scutellarioides) leaf extract as an inhibitor of Non Structural Protein (NS5) Dengue virus. This study was conducted by molecular docking by using Pyrx 0.8 application. The structure of target protein (NS5) was obtained from Protein Data Bank site (https://www.rcsb.org), and then the water molecules on target protein were removed by using the Pymol software application. After the docking process completed, then interaction of the ligand and the target protein visualized in the Pymol software. The value of binding affinity from molecular docking between Quercetin and NS5 Protein was -7.6 kcal/mol, and between control ligand (Ribavirin) and NS5 Protein is -5.8 kcal/mol. Results analysis of Quercetin compounds using Swissadme and AdmetSAR showed that Quercetin did not have a toxic effect and did not carcinogenic. Quercetin compounds also meet all the parameters in Lipinski's rule.

Keyphrases: Dengue, Docking, NS5 Protein, Quercetin, Ribavirin

@booklet{EasyChair:7121,
  author    = {Alfani Maring Datu and Syahrijuita Kadir and Sulfahri Sulfahri},
  title     = {Quercetin from Miana Leaf (Coleus Scutellarioides) Extract as Inhibitor of Dengue Virus NS5 Protein},
  howpublished = {EasyChair Preprint 7121},
  year      = {EasyChair, 2021}}