Background Bioactive factors in functional foods play a crucial role in performing their
specific functions. These factors have their own specific physical and chemical properties …

Time span in literature: 1985-early 2024Natural products play a key role in drug discovery,
both as a direct source of drugs and as a starting point for the development of synthetic …

Background: The field of toxicology has witnessed substantial advancements in recent
years, particularly with the adoption of new approach methodologies (NAMs) to understand …

Oxidative stress is the consequence of an abnormal increase of reactive oxygen species
(ROS). ROS are generated mainly during the metabolism in both normal and pathological …

Artificial Intelligence is transforming drug discovery, particularly in the hit identification phase
of therapeutic compounds. One tool that has been instrumental in this transformation is …

Transient receptor potential vanilloid 1 (TRPV1) was reported to be a putative target for
recovery from chronic pain, producing analgesic effects after its inhibition. A series of drug …

Hexokinases (Hks) and mitochondrial complex I (MCI) are involved in the energy
metabolism of cells; glycolysis/fermentation and oxidative phosphorylation. Both Hks and …

The global rise in diabetes mellitus (DM) poses a significant health challenge, necessitating
effective therapeutic interventions. α-Glucosidase inhibitors play a crucial role in managing …

First and foremost, I am deeply grateful to my PhD supervisor, Giulia Caron, for the
invaluable opportunity and support provided during this academic journey. From the day I …

Molecular dynamics simulations serve as a prevalent approach for investigating the dynamic
behaviour of proteins and protein-ligand complexes. Due to its versatility and speed …