In this article we discuss the pros and cons of medicinal chemists undertaking three-dimensional (3D) computer-aided drug design (CADD) activities for themselves, from the viewpoint of both medicinal chemists and computational chemists.
Therefore, we solicited 11 bench-based medicinal and computational chemists to score 119 lead-like molecules synthesized by same medicinal chemists.
This sort of decomposition of molecular structures, i.e. MCES, linkers and R-groups, follows a common practice in the field of medicinal and computational chemistry.
Irrespective of the starting material database, we obtained a good agreement between average of medicinal and computational chemist scores for the ensemble of compounds; as well as between all chemists and SYLVIA SA scores with a correlation of 0.7.
It is a routine and yet crucial task for medicinal and computational chemists to carefully check whether a compound of interest is truly novel, i.e. it has not been published in scientific literature, claimed in patents, offered by compound vendors, etc.
Numerous drugs, both medicinal and illicit, have reportedly caused rhabdomyolysis.
Privately and on background the board (or certain members) expressed concern over Musk's recent behavior, drug use (both medicinal and recreational) and Twitter habits.
At the time of this writing, there are currently 29 states which have legalized medicinal cannabis, 9 states and Washington DC which have legalized both medicinal and recreational cannabis use, and 18 states which have legalized cannabidiol (CBD -only bills.
