Amentoflavone is an active phenolic compound isolated from Selaginella tamariscina over
40 years. Amentoflavone has been extensively recorded as a molecule which displays …

Licorice, a natural medicine derived from the roots and rhizomes of Glycyrrhiza species,
possesses a wide range of therapeutic applications, including antiviral properties …

Hesperidin and hesperetin are flavonoids that are abundantly present as constituents of
citrus fruits. These compounds have attracted attention as several computational methods …

COVID-19 is the most devastating disease in recent times affecting most people globally.
The higher rate of transmissibility and mutations of SARS-CoV-2 along with the lack of …

Traditionally, Withania somnifera is widely used as an immune booster, anti-viral, and for
multiple medicinal purposes. The present study investigated the withanolides as an immune …

The grand challenge in structure-based drug design is achieving accurate prediction of
binding free energies. Molecular dynamics (MD) simulations enable modeling of …

The first infection case of new coronavirus was reported at the end of 2019 and after then,
the cases are reported in all nations across the world in a very short period. Further, the …

The COVID-19 new variants spread rapidly all over the world, and until now scientists strive
to find virus-specific antivirals for its treatment. The main protease of SARS-CoV-2 (Mpro) …

The overall impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) on
our society is unprecedented. The identification of small natural ligands that could prevent …

The present study aimed to investigate the binding affinity of andrographolide and its
derivative ie, 14-deoxy-11, 12-didehydroandrographolide with targets related to COVID-19 …