Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2.

Combination drugs have been used for several diseases for many years since they produce better therapeutic effects. However, it is still a challenge to discover candidates to form a combination drug. This study aimed to investigate whether using a comprehensive in silico approach to identify novel combination drugs from a Chinese herbal formula is an appropriate and creative strategy.

Analgesic α-Conotoxin Binding Site on the Human GABA Receptor.

The analgesic -conotoxins Vc1.1, RgIA, and PeIA attenuate nociceptive transmission via activation of G protein-coupled GABA receptors (GABARs) to modulate N-type calcium channels in primary afferent neurons and recombinantly coexpressed human GABAR and Cav2.2 channels in human embryonic kidney 293T cells.