Prediction of Lead Molecule Esculetin of Tridax procumbens against Zika Virus Envelope Protein

Abstract

In the existing field of science, it is necessary for Siddha, Ayurveda therapists, to understand the interactions and to treat the target regions of the human system effectively. One of the most significant nightmares for scientists and medical professionals has been the Zika virus. Since the bite of the Aedes mosquito species has infected people worldwide with the Zika virus (Flavivirus). The human mechanism and infection control interactions of the Zika virus are still unclear.  In addition, some herbal products may give a pathway to the treat the zika virus. Many herbs aim to regulate various diseases, but the herb Tridax procumbens has a key collection of pharmacological values for diseases. Traditional health practitioners have struggled to grasp the precise mechanism of linking existence and how to treat the disease, so the current Ayurinformatics approach and the evolving field are an idea of a modern medical science system. Here we examine the interaction of flavonoids procumbenetin and esculetin of Tridax procumbens with zika virus in silico docking and molecular simulation and ADME and toxicity profile for the drug candidate. Hereby we conclude that these two compounds have the property to suppress the ZIKA virus and are stable and active with ZIKA virus. Molecular docking of Esculetin and Procumbenetin with ZIKV 5JHM, they bind with each other on active site pockets ASP98, ARG99, GLY100, TRP101, GLY102, ASN103, GLY104, CYS105, GLY106, LEU107, PHE108, GLY109.