Exploration of the anti-SARS-CoV-2 potential and expected mechanisms of small molecules from Antrodia cinnamomea by BT&D2 drug-targeting analysis

Researchers identified TMD, a natural compound from the Taiwanese medicinal fungus Antrodia cinnamomea, as a promising anti-SARS-CoV-2 agent. Using a computer-based drug targeting system, they found that TMD could block two key viral enzymes, 3CLpro and PLpro, which are essential for virus replication. Laboratory studies showed that synthesized TMD effectively inhibited the Omicron BA.2 and BA.5 variants. Further analyses confirmed that TMD works effectively by attacking two key targets on the virus at once. It competes with the virus to block its activity, confirming exactly what the computer simulations predicted. Animal studies also showed no apparent toxicity, consistent with predictions of minimal side effects. These findings suggest that TMD could serve as a promising lead compound for future COVID-19 treatments.

Read more: https://pmc.ncbi.nlm.nih.gov/articles/PMC12849096/

First Author: Arshdeep Singh

Corresponding Author: Arunee Thitithanyanontl, Sheng-Fan Wang and Hsien-Tai Chiu