One of the strategies in the search for safe and effective analgesic drugs is the design of
multitarget analgesics. Such compounds are intended to have high affinity and activity at …

Herein, we describe our efforts to identify sigma receptor 1 (S1R) ligands through a
screening campaign on our in-house collection of piperidine/piperazine-based compounds …

The title usage of Unde venisti 'from where have you come'is from a now dead language
(Latin) that foundationally influenced modern English (not the major influence, but an …

The cystic fibrosis transmembrane conductance regulator (CFTR) is a crucial ion channel
whose loss of function leads to cystic fibrosis, whereas its hyperactivation leads to secretory …

Machine learning (ML) has revolutionised the field of structure-based drug design (SBDD) in
recent years. During the training stage, ML techniques typically analyse large amounts of …

Ultralarge virtual chemical spaces have emerged as a valuable resource for drug discovery,
providing access to billions of make-on-demand compounds with high synthetic success …

Drugs acting as positive allosteric modulators (PAMs) to enhance the activation of the
calcium sensing receptor (CaSR) and to suppress parathyroid hormone (PTH) secretion can …

Sigma receptors (σ1 R and σ2 R) are pharmacologically characterized membrane-bound
receptors that bind a wide range of chemical compounds. Alzheimer's disease, traumatic …

Abstract Alzheimer's disease (AD), a leading cause of dementia, increasingly challenges our
healthcare systems and society. Traditional therapies aimed at single targets have fallen …

Abstract Structure-based virtual screening aims to find molecules forming favorable
interactions with a biological macromolecule using computational models of complexes. The …