Improved machine learning scoring functions for identification of Electrophorus electricus’s acetylcholinesterase inhibitors

Molecular Diversity - Structure-based drug design (SBDD) is an important in silico technique, used for the identification of enzyme inhibitors. Acetylcholinesterase (AChE), obtained from...     

Combined ligand-based and structure-based design of PDE 9A inhibitors against Alzheimer’s disease

Molecular Diversity - PDE9 enzyme hydrolyzes cGMP, which is involved in the regulation of synaptic plasticity through the NMDA pathway (a well-known excitotoxic target for AD) via activation of...