Identifying a potential drug from acorus calamus and determining the specific binding region in the human coronavirus protein via insilico docking method.

An outbreak of 2019 novel coronavirus disease (COVID-19/ 2019-nCoV) has quickly spread nationwide in Wuhan, China.It has been classified as a zoonotic coronavirus similar to coronavirus SARS and coronavirus MERS.Aim: To identify a potential drug and determine the specific binding region in the human coronavirus protein via insilico docking method.Materials and Methods: There is a herb called Acorus Calamus which contains various compounds in it.Hence, one of the most widely known ligand is galangin which is used as a therapeutic target for the treatment of cancer, neurodegeneration, diabetes, cardiovascular effects and also bronchitis diseases.Thus, the ligand was taken from the PubChem database and downloaded in the SDF form.Then, the liability of the ligand was tested through the PreADMET database.On the other hand, human coronavirus protein was downloaded from NCBI VIRUS in FASTA format.Next, by using RPBS WEB PORTAL online server proper docking was done with the chosen receptor and ligand.Results and Discussions: Galangin was recognized as one of the main ligand which can able to bind to a specific region in human coronavirus protein.Conclusion: From this study, galangin was identified as one of the useful ligand to cure COVID-19.This result suggests the potential role of galangin and this ligand to serve as a useful drug in the medical field.