The chromosome-level genome for Toxicodendron vernicifluum provides crucial insights into Anacardiaceae evolution and urushiol biosynthesis.
- Bai G et al (2022).
- iScience.
- PubMed:
- 35733792
Researchers investigated the potential use of plant compounds for treating COVID-19 using molecular docking experiments. The compounds showed high binding affinity and two were further explored. Molecular mechanics-based calculations were used to re-rank the candidates, with two compounds being confirmed as stable in association with viral protease. The compounds' geometries, electrical properties, chemical reactivity, and intermolecular interactions were also studied. These in silico discoveries have identified potential COVID-19 inhibitors and could contribute to antiviral drug discovery.
Researchers conducted a computational investigation of the nonlinear optical responses of active phytochemicals in the Clitoria ternatea plant using density functional theory. Their results identified Clitorin as the most active phytochemical inhibitor of Alzheimer's disease. Molecular dynamics simulations showed the stability of the complex, suggesting its potential as a drug-like molecule against AD. Additionally, the phytochemical showed no harmful effects on the heart. These findings indicate the potential of Clitorin as a therapeutic for Alzheimer's disease.