What are the challenges with multi-targeted drug design for complex diseases?

Agata ZiębaPiotr StępnickiDariusz MatosiukAgnieszka A Kaczor

Published in: Expert opinion on drug discovery (2022)

methods, in particular inverse docking, pharmacophore modeling, machine learning methods and approaches derived from network pharmacology are valuable tools for the design of multi-target drugs.

Keyphrases

machine learning
molecular dynamics
molecular docking
molecular dynamics simulations
cancer therapy
artificial intelligence
protein protein
drug induced
big data
emergency department
small molecule