Background: Endophytic fungi are known as a producer of myriad bioactive natural products, including those originally produced by the host plants. Huperzine A (Hup A), lycopodium alkaloid, which was reported an active acetylcholinesterase inhibitor (AChEI) agent used for treatment Alzheimer’s disease, isolated from medicinal Chinese herbs Huperzia serrata. Moreover, various species endophytic a...

Drug-target residence time (t = 1/k(off), where k(off) is the dissociation rate constant) has become an important index in discovering better- or best-in-class drugs. However, little effort has been dedicated to developing computational methods that can accurately predict this kinetic parameter or related parameters, k(off) and activation free energy of dissociation (ΔG(off)≠). In this paper, e...

Cholinesterases (ChEs) are classified as acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) according to their substrate specificity and sensitivity to selected inhibitors. The activities of AChE in red blood cells (RBC-AChE) and BChE in serum can be used as potential biomarkers of suppressed and/or heightened activity in the central and peripheral nervous systems. Exposure to organop...