Machine learning (ML) models to predict the toxicity of small molecules have garnered great
attention and have become widely used in recent years. Computational toxicity prediction is …

Alkaloids found in multiple species, known as 'driver species', are more likely to be included
in early-stage drug development due to their high biodiversity compared to rare alkaloids …

Following a hybridization strategy, a series of 5-substituted-1H-indazoles were designed
and evaluated in vitro as inhibitors of human monoamine oxidase (h MAO) A and B. Among …

Cannabinoid type 2 receptor (CB2R), belonging to the endocannabinoid system, is
overexpressed in pathologies characterized by inflammation, and its activation counteracts …

The development of small molecules that selectively target the cannabinoid receptor
subtype 2 (CB2R) is emerging as an intriguing therapeutic strategy to treat …

Artificial Intelligence (AI) is poised or has already begun to influence absorption, distribution,
metabolism and excretion (ADME) science. It is not in the area expected–that of superior …

Targeting pathogenic mechanisms, rather than essential processes, represents a very
attractive approach for the development of new antimycobacterial drugs. In this context, iron …

Long QT syndrome (LQTS) is a disorder of cardiac electrophysiology resulting in life‐
threatening arrhythmias; nowadays, only a few drugs are available for the management of …

One of the most well-known anti-targets defining medication cardiotoxicity is the voltage-
dependent hERG K+ channel, which is well-known for its crucial involvement in cardiac …

The human ether-à-go-go-related gene (hERG) channel plays a crucial role in membrane
repolarization. Any disruptions in its function can lead to severe cardiovascular disorders …