Virtual Screening (VS) is designed to prospectively help identifying potential hits, ie,
compounds capable of interacting with a given target and potentially modulate its activity …

The estrogen receptors α (ERα) are transcription factors involved in several physiological
processes belonging to the nuclear receptors (NRs) protein family. Besides the endogenous …

The aryl hydrocarbon receptor (AhR) plays an important role in several biological processes
such as reproduction, immunity and homoeostasis. However, little is known on the chemical …

Meglumine acridone acetate (MA) is used in Russia for the treatment of influenza and other
acute respiratory viral infections. It was assumed, until recently, that its antiviral effect was …

In silico protein target deconvolution is frequently used for mechanism-of-action
investigations; however existing protocols usually do not predict compound functional …

Les perturbateurs endocriniens (PE) constituent un problème de santé publique. En effet,
l'exposition humaine à ces composes est associée à un risque accru de développement de …

Machine learning (ML) applications in drug design have now been available for more than
two decades. Recently an increased use of deep learning (DL) methods have been …

KGaA, GSK and Eisai with activities in the development and distribution of ivermectin,
praziquantel, albendazole and diethylcarbamazine, to name just a few. Third, on top of a …

The modeling of complexes of 3 sets of steroid and nonsteroidal progestins with the ligand-
binding domain of the nuclear progesterone receptor was performed. Molecular docking …

Results Sequencing and statistical analysis of data. Ribonucleic acid sequencing (RNA-
Seq) was used to evaluate gene expression in four groups of samples:(1) mock PBMCs …