The latest automated docking technologies for novel drug discovery

J Caballero - Expert opinion on drug discovery, 2021 - Taylor & Francis
Introduction Molecular docking has been consolidated as one of the most important methods
in the molecular modeling field. It has been recognized as a prominent tool in the study of …

[HTML][HTML] Antifungal activity and in silico studies on 2-acylated benzo-and naphthohydroquinones

D Ríos, JA Valderrama, G Quiroga, J Michea, F Salas… - Molecules, 2022 - mdpi.com
The high rates of morbidity and mortality due to fungal infections are associated with a
limited antifungal arsenal and the high toxicity of drugs. Therefore, the identification of novel …

Design of bisamide inhibitors of the TASK-1 potassium channel in silico

L Liu, J Liu, L Chen, R Na, L Yang, X Liu… - Physical Chemistry …, 2025 - pubs.rsc.org
TWIK-related acid-sensitive potassium channel 1 (TASK-1) is expressed ubiquitously across
various tissues and plays a significant role in neural activity and anesthetic modulation …