Physicochemical and structural evaluation of natural products as a potential source for viral disease treatment

Abstract

This research article aims to investigate six selected medicinal plants of Achillea millefolium (Yarrow), Alkanet, Rumex patientia (Patience dock), Dill, Tarragon, and Sweet fennel including some principal chemical compounds of achillin, alkannin, cuminaldehyde, dillapiole, estragole and fenchone. The definitive roles of these medicinal plants in Omicron treatment have been investigated through quantum mechanics and molecular mechanic methods. However, given the unprecedented challenges faced should be given a fair amount of consideration for contribution during this pandemic. In this work, it has been investigated the compounds of achillin, alkannin, cuminaldehyde, dillapiole, estragole and fenchone as a probable anti pandemic Omicron receptor derived from medicinal plants. Anti-Omicron drugs through the hydrogen bonding through physico-chemical properties of medicinal ingredients bound to the database amino acids fragment of Tyr-Met-His as the selective zone of the Omicron have been estimated with infrared (IR) and nuclear magnetic resonance (NMR) methods. A comparison of these structures has provided new insights for the design of substrate-based anti-targeting Omicron. Finally, five medicinal ingredients of achillin, alkannin, cuminaldehyde, dillapiole, and estragole bound to TMH have conducted to a Monte Carlo (MC) simulation for evaluating the absorbance of these inhibitor-active site complexes. Here, we used the network pharmacology, metabolite analysis, and molecular simulation to figure out the biochemical basis of the health-raising influence of medicinal plants. This research article peruses the drug ability, metabolites and potential interaction of some medicinal plants with Coronavirus-induced pathogenesis.