[HTML][HTML] A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology
Conventional drug design embraces the “one gene, one drug, one disease” philosophy.
Polypharmacology, which focuses on multi-target drugs, has emerged as a new paradigm in …
Polypharmacology, which focuses on multi-target drugs, has emerged as a new paradigm in …
Advances in computational polypharmacology
C Feldmann, J Bajorath - Molecular Informatics, 2022 - Wiley Online Library
In drug discovery, polypharmacology encompasses the use of small molecules with defined
multi‐target activity and in vivo effects resulting from multi‐target engagement. Multi‐target …
multi‐target activity and in vivo effects resulting from multi‐target engagement. Multi‐target …
Prospects of multitarget drug designing strategies by linking molecular docking and molecular dynamics to explore the protein–ligand recognition process
KC Sivakumar, J Haixiao, CB Naman… - Drug Development …, 2020 - Wiley Online Library
The designing of drugs that can simultaneously affect different protein targets is one novel
and promising way to treat complex diseases. Multitarget drugs act on multiple protein …
and promising way to treat complex diseases. Multitarget drugs act on multiple protein …
[HTML][HTML] Computational polypharmacology comes of age
G Rastelli, L Pinzi - Frontiers in pharmacology, 2015 - frontiersin.org
In the last years, the “one target, one drug” paradigm that has traditionally dominated drug
discovery has been deeply challenged by the evidence that small molecules interact …
discovery has been deeply challenged by the evidence that small molecules interact …
Computational polypharmacology: a new paradigm for drug discovery
Introduction: Over the past couple of years, the cost of drug development has sharply
increased along with the high rate of clinical trial failures. Such increase in expenses is …
increased along with the high rate of clinical trial failures. Such increase in expenses is …
Robust ligand-based modeling of the biological targets of known drugs
Systematic annotation of the primary targets of roughly 1000 known therapeutics reveals that
over 700 of these modulate approximately 85 biological targets. We report the results of …
over 700 of these modulate approximately 85 biological targets. We report the results of …
[HTML][HTML] Drug-target and disease networks: polypharmacology in the post-genomic era
A Masoudi-Nejad, Z Mousavian, JH Bozorgmehr - In silico pharmacology, 2013 - Springer
With the growing understanding of complex diseases, the focus of drug discovery has shifted
away from the well-accepted “one target, one drug” model, to a new “multi-target, multi-drug” …
away from the well-accepted “one target, one drug” model, to a new “multi-target, multi-drug” …
[HTML][HTML] Multi-target pharmacology: possibilities and limitations of the “skeleton key approach” from a medicinal chemist perspective
A Talevi - Frontiers in pharmacology, 2015 - frontiersin.org
Multi-target drugs have raised considerable interest in the last decade owing to their
advantages in the treatment of complex diseases and health conditions linked to drug …
advantages in the treatment of complex diseases and health conditions linked to drug …
Predicting targeted polypharmacology for drug repositioning and multi-target drug discovery
Prediction of polypharmacology of known drugs and new molecules against selected
multiple targets is highly useful for finding new therapeutic applications of existing drugs …
multiple targets is highly useful for finding new therapeutic applications of existing drugs …
The role of fragment-based and computational methods in polypharmacology
Polypharmacology-based strategies are gaining increased attention as a novel approach to
obtaining potentially innovative medicines for multifactorial diseases. However, some within …
obtaining potentially innovative medicines for multifactorial diseases. However, some within …