Sirtuins are NAD+-dependent deac (et) ylases with different subcellular localization. The
sirtuins' family is composed of seven members, named SIRT-1 to SIRT-7. Their substrates …

The number of cases of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
infection (COVID-19) has reached over 114,000. SARS-CoV-2 caused a pandemic in …

The discovery of new scaffolds and chemotypes via high-throughput screening is tedious
and resource intensive. Yet, there are millions of small molecules commercially available …

In addition to vaccines, antiviral drugs are essential for suppressing COVID-19. Although
several inhibitor candidates were reported for SARS-CoV-2 main protease, most are highly …

In the field of drug discovery, identifying compounds that satisfy multiple criteria, such as
target protein affinity, pharmacokinetics, and membrane permeability, is challenging …

Sirtuins (SIRTs) are classified as class III histone deacetylases (HDACs), a family of
enzymes that catalyze the removal of acetyl groups from the ε-N-acetyl lysine residues of …

It is my great pleasure to open this special issue dedicated to the 30th anniversary of
Enamine Ltd.–a worldwide supplier of chemical compounds and services. The company …

SIRT1 is a protein associated with vital cell functions such as gene regulation, metabolism,
ageing, and cellular energy restoration. Its association with the tumor suppressor protein …

Automatic optimization methods for compounds in the vast compound space are important
for drug discovery and material design. Several machine learning-based molecular …

Designing molecules with desirable properties is a critical endeavor in drug discovery.
Because of recent advances in deep learning, molecular generative models have been …