Molecular Docking of Chiral Drug Enantiomers With Different Bioactivities
Ekaterina V. Semenova,
Ekaterina V. Belova,
Alexey V. Sulimov
et al.
Abstract:Chirality has an important role in the drug design because enantiomers may exhibit different bioactivity when interacting with macromolecules of a living organism. In our previous work, based on the analysis of a set of 100 chiral drugs, a relationship was established between the sign of chirality of enantiomers and their bioactivity. To understand the reasons for the observed patterns of chiral specificity of drug enantiomers, the interaction of 10 enantiomeric pairs of chiral drugs with the corresponding tar… Show more
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