Title:Progress in the Rational Design for Polypharmacology Drug
Volume: 22
Issue: 21
Author(s): Jinming Zhou, Quanjie Li, Meng Wu, Chao Chen and Shan Cen
Affiliation:
Keywords:
Polypharmacology, Polypharmacology drug, Rational drug design, Ligand based drug design, Target based drug design, Multiple
ligand.
Abstract: Background: Polypharmacology plays an important role in drug discovery. Polypharmacology drugs
strategy provides a novel way in drug design. However, to develop a polypharmacology drug with desired profile
remains a challenge. Methods: Owing to the huge progress in computational biology and chemistry, the rational
drug design is becoming increasingly important in discovery of polypharmacology drug. Results: Several methodologies
on the rational polypharmacology drug design have been developed, which are summarized and classified
as ligand based design in polypharmacology, target based design in polypharmacology, and the hybrid of ligand
and target based design in polypharmacology. Conclusion: We give an overview of the importance of polypharmacology
in drug design and current trends in rational design of polypharmacology, which may be beneficial to the
design and development of polypharmacology drugs.
