All Studies

Genomic Analyses of Rose Crown Gall-Associated Bacteria Revealed Two New Agrobacterium Species: Agrobacterium burrii sp. nov. and Agrobacterium shirazense sp. nov.

Mafakheri H et al (2022).
Phytopathology.
PubMed:
34856816

Jatamansinol from Nardostachys jatamansi: a multi-targeted neuroprotective agent for Alzheimer's disease.

This study looks at a plant called D.Don DC, which has traditionally been used to treat neurological disorders, and its potential as a drug candidate for Alzheimer's disease (AD). Using computational drug discovery techniques, the study found that certain pyranocoumarins from the plant, such as dihydrojatamansin and jatamansinol, could be potential drug candidates for AD. The study also found that dihydrojatamansin inhibits acetylcholinesterase, while jatamansinol inhibits other AD therapeutic targets. These findings could lead to new treatments for AD.

Anupama KP et al (2023).
J Biomol Struct Dyn.
PubMed:
34854369

Hibiscus sabdariffa anthocyanins are potential modulators of estrogen receptor alpha activity with favourable toxicology: a computational analysis using molecular docking, ADME/Tox prediction, 2D/3D QSAR and molecular dynamics simulation.

Laskar YB, Mazumder PB and Talukdar AD (2023).
J Biomol Struct Dyn.
PubMed:
34854367

In silico screening of natural compounds to inhibit interaction of human ACE2 receptor and spike protein of SARS-CoV-2 for the prevention of COVID-19.

Researchers screened a library of phytochemicals for their potential to inhibit the binding of ACE2 receptors to the spike protein of SARS-CoV-2. Out of 686 compounds, 20 were found to bind with energy ranging from -11.8 to -6.9 kcal/mol. Four compounds were found to be non-toxic and stable in molecular dynamics simulations and may prevent SARS-CoV-2 infection by inhibiting viral entry into host cells. These compounds are Hinokinin, Gmelanone, Isocolumbin, and Tinocordioside.

Sharma P et al (2023).
J Biomol Struct Dyn.
PubMed:
34854365