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 …

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 …

Introduction In recent years, computational polypharmacology has gained significant
attention to study the promiscuous nature of drugs. Despite tremendous challenges …

Highlights•Polypharmacology and its exploitation for drug discovery is drawing increasing
interest.•Computational approaches have great potential for predicting the …

Polypharmacology, the process in which a single drug is able to bind to multiple targets
specifically and simultaneously, is an emerging paradigm in drug development. The potency …

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 …

Prediction of polypharmacology of known drugs and new molecules against selected
multiple targets is highly useful for finding new therapeutic applications of existing drugs …

Polypharmacology, which focuses on designing therapeutics to target multiple receptors,
has emerged as a new paradigm in drug discovery. Polypharmacological effects are an …

Designing drugs that can simultaneously interact with multiple targets is a promising
approach for treating complicated diseases. Compared to using combinations of single …

Background: The complexity of diseases has led to recent interest in polypharmacology,
which suggests that many effective drugs specially modulate multiple targets. Drugs with …