A perspective on multi-target drug discovery and design for complex diseases
By Rona R. Ramsay, Marija R. Popović-Nikolić, Katarina Nikolic, Elisa Uliassi, Maria Laura Bolognesi. Clinical and Translational Medicine, 2018
623 citations recorded by the source corpus.
Diseases of infection, of neurodegeneration (such as Alzheimer’s and Parkinson’s diseases), and of malignancy (cancers) have complex and varied causative factors. Modern drug discovery has the power to identify potential modulators for multiple targets from millions of compounds. Computational approaches allow the determination of the association of each compound with its target before chemical synthesis and biological testing is done. These approaches depend on the prior identification of clinically and biologically validated targets. This Perspective will focus on the molecular and computational approaches that underpin drug design by medicinal chemists to promote understanding and collaboration with clinical scientists.
Subfields: Computational Theory and Mathematics, Organic Chemistry, Pharmacology
View Paper: https://www.semanticscholar.org/paper/b528832319bd0467e17c7da6575c3f3684c8b153
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In Computational Theory and Mathematics
In Organic Chemistry
In Pharmacology
Citations in the corpus
- Molecular Docking: Shifting Paradigms in Drug Discovery (2019, background): “However, the high attrition rates in the late stages of clinical trials due to a lack of therapeutic efficacy have moved modern drug design towards polypharmacology, which refers to the identification of ligands that hit a set of selected, therapeutic-relevant targets [57,59,167,168].”
- Cholinesterase inhibitors as Alzheimer's therapeutics (2019, background): “The development of a multi‑target drug is a challenging task that can be accomplished by using computational approaches, including molecular modelling and molecular docking (95).”