Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits

作者：Sebastian Perez Victor; Roca Carlos; Awale Mahendra; Reymond Jean Louis; Martinez Ana; Gil Carmen; Campillo Nuria E^*

来源：Journal of Chemical Information and Modeling, 2017, 57(9): 2143-2151.

DOI：10.1021/acs.jcim.7b00401

Identification of new hits is one of the biggest challenges in drug discovery. Creating a library of well-characterized drug-like compounds is a key step in this process. Our group has developed an in-house chemical library called the Medicinal and Biological Chemistry (MBC) library. This collection has been successfully used to start several medicinal chemistry programs and developed in an accumulation of more than 30 years of experience in drug design and discovery of new drugs for unmet diseases. It contains over 1000 compounds, mainly heterocyclic scaffolds. In this work, analysis of drug-like properties and comparative study with well-known libraries by using different computer software are presented here.

• 出版日期2017-9