In-Silico Test of Activity Quercetin as a Natural Compound in Reducing Hypertension

EasyChair Preprint 7201

Abstract

 Syzygium polyanthum is one of the herbal plants that contains active compounds, specifically quercetin, which has traditionally been used as a hypertension medication. Based on reverse docking studies, this study aimed to discover the bioactivity of the Quercetin compound from Syzygium Polyanthum for hypertension. The structures of Syzygium polyanthum chemical constituents (quercetin) were gathered from published literature. Phosphoinositide 3-kinase is the Target Protein.PyMOL v1.7.4.5 Software (Schrödinger) was used to remove the water molecule and ligands. The PyRx 0.8 software was used to conduct the molecular docking experiments.

Based on its binding affinity and intermolecular interactions, the results showed that quercetin has a greater potential for lowering hypertension. Quercetin has a binding affinity of -7.6 with Phosphoinositide 3-kinase protein, while Phosphoinositide 3-kinase has a binding affinity of -4,6 with the control compound Amlodipine. The AMES test revealed that quercetin is not a carcinogen. The absorption of quercetin in water is higher than in the control compound.

Keyphrases: Amlodipine, Hypertension, Quercetin, Syzygium polyanthum, phosphoinositide 3-kinase

@booklet{EasyChair:7201,
  author    = {Fatmah Kamaruddin and Andi Ariyandy and Ika Yustisia and Sulfahri Sulfahri},
  title     = {In-Silico Test of Activity Quercetin as a Natural Compound in Reducing Hypertension},
  howpublished = {EasyChair Preprint 7201},
  year      = {EasyChair, 2021}}