Amomum tsao-ko essential oil, a novel anti-COVID-19 Omicron spike protein natural products: A computational study.

ABSTRACT: Since the outbreak of COVID-19, this virus has been constantly mutating. The latest mutant Omicron has been identified as VOC by WHO. The main reason for its concern is the mutation of 46 amino acids in spike protein, which has brought the global epidemic prevention into another difficulty. Herbal aromatic plant Amomum tsao-ko was excavated from formula 1 and 2 for the treatment of COVID-19 in China, and its active components were extracted and identified. Molecular dynamics simulation and Fpocket were applied to find the key sites on RBD_Omicron, and molecular docking was also used to reveal the interaction between A. tsao-ko essential oil (AEO) and RBD_Omicron. The AEO components were analyzed and identified by GC/Q-TOF MS. There were 20 kinds of AEO wit

SUBMITTER: Liu JZ 

PROVIDER: S-EPMC9014638 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature