Polypharmacology and supercomputer-based docking: opportunities and challenges

Polypharmacology in Precision Oncology: Current Applications and Future 
Prospects

Over the past decade, a more comprehensive, large-scale approach to studying cancer genetics and biology has revealed the challenges of tumor heterogeneity, adaption, evolution and drug resistance, while systems-based pharmacology and chemical biology strategies have uncovered a much more complex interaction between drugs and the human proteome than was previously anticipated. In this mini-revi...

In silico study of polypharmacology with protein-ligand interacting fingerprint

The past years have witnessed the versatile applications of interaction fingerprint method, including three-dimensional structure analysis, docking-pose clustering and filtering, scoring function improvement and enhancing enrichment of virtual screening. However, it’s still unclear whether it’s possible to study the polypharmacology with such a strategy. We have explored this important question...

Integrative Systems Approaches Towards Brain Pharmacology and Polypharmacology

Polypharmacology is considered as the future of drug discovery and emerges as the next paradigm of drug discovery. The traditional drug design is primarily based on a ”one target-one drug” paradigm. In polypharmacology, drug molecules always interact with multiple targets, and therefore it imposes new challenges in developing and designing new and effective drugs that are less toxic by eliminat...

Computational polypharmacology comes of age

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 simultaneously with multiple targets, a phenomenon known as polypharmacology. Today, polypharmacology is recognized as a new valuable opportunity for drug discovery and development. It is now well established that drug ...

Review of Challenges and Opportunities Health Information Technology-based Art Therapy in Education and Treatment