Herein , the LASSBio Chemical Library is presented as a valuable source of compounds for screening
In this work it is presented a virtual screening methodology
Herein , the LASSBio Chemical Library is presented as a valuable source of compounds for screening to identify hits suitable for subsequent hit - to - lead optimization stages .
In this work it is presented a virtual screening methodology combining a pharmacophore - based model and an empirical Gibbs free energy - based model for the ligand - protein interaction to explore the LASSBio Chemical Library as a source of new hits for the inhibition of the phosphatidylinositol 4-kinase IIIβ ( PI4KIIIβ ) enzyme , which is related to the development of viral infections ( including enteroviruses , SARS coronavirus , and hepatitis C virus ) , cancers and neurological diseases .