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Dataset Information

Allergen fragrance molecules: a potential relief for COVID-19.


ABSTRACT:

Background

The latest coronavirus SARS-CoV-2, discovered in China and rapidly spread Worldwide. COVID-19 affected millions of people and killed hundreds of thousands worldwide. There are many ongoing studies investigating drug(s) suitable for preventing and/or treating this pandemic; however, there are no specific drugs or vaccines available to treat or prevent SARS-CoV-2 as of today.

Methods

Fifty-eight fragrance materials, which are classified as allergen fragrance molecules, were selected and used in this study. Docking simulations were carried out using four functional proteins; the Covid19 Main Protase (MPro), Receptor binding domain (RBD) of spike protein, Nucleocapsid, and host Bromodomain protein (BRD2), as target macromolecules. Three different software, AutoDock, A

SUBMITTER: Aydın AD 

PROVIDER: S-EPMC7819625 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature