Small Molecules

Small Molecules

“Small molecules” is a vague term for all organic molecules with a molecular mass smaller than 600-800 Da. The term “small molecule” is intended to assure that these molecules are not being confused with large biomolecules, such as proteins, polysaccharids or other biopolymers. Small molecules are typically non-natural, synthetic or semi synthetic molecules and one of the most important class of pharmaceutics for the treatment of various diseases. The number of small molecules consisting of typical organic atoms (C, H, O, N, P) is estimated to be in the range of 1060 [1]. This vast number of chemical structures, that have the potential to become a drug for one or several indications, is a tremendous challenge and opportunity. To access as many of them, desirably with as less synthetic effort possible, is the goal of the medicinal chemist in the Drug Discovery & Design. Computational methods can help in selecting the most promising small molecules and tailor the perfect small molecule(s) for any given indication.