Molecular docking is a computational method for predicting the placement of ligands in the
binding sites of their receptor (s). In this review, we discuss the methodological …

Accurate and rapid calculation of protein-small molecule interaction free energies is critical
for computational drug discovery. Because of the large chemical space spanned by drug …

Vascular wilt of tomato caused by Fusarium oxysporum f. sp. lycopersici (FOL) is one of the
most devastating diseases, that delimits the tomato production worldwide. Fungal short …

In the present work we studied the antiviral activity of the home library of monoterpenoid
derivatives using the pseudoviral systems of our development, which have glycoproteins of …

Accurately predicting protein–ligand binding affinities can substantially facilitate the drug
discovery process, but it remains as a difficult problem. To tackle the challenge, many …

Over the past decades, the problem of bacterial resistance to most antibiotics has become a
serious threat to patients' survival. Nevertheless, antibiotics of a novel class have not been …

Abstract The Saint Louis Encephalitis Virus (SLEV) is one of the causes of a rare,
inflammatory condition of the brain tissues known as encephalitis. Belonging to the …

Although the Covid-19 pandemic is officially over and the spread of coronavirus infection is
no longer considered an international emergency, the virus continues to persist in the …

The bacterial DNA gyrase is an attractive target to identify the novel antibacterial agents. The
flavonoid derivatives possess various biological activities such as antimicrobial, anti …

In the rapidly expanding era of cancer target therapy, regulators of apoptosis are emerging
as attractive therapeutic targets. X-linked inhibitor of apoptosis (XIAP) is of specific interest …