Improved genome-scale multi-target virtual screening via a novel collaborative filtering approach to cold-start problem.

ABSTRACT: Conventional one-drug-one-gene approach has been of limited success in modern drug discovery. Polypharmacology, which focuses on searching for multi-targeted drugs to perturb disease-causing networks instead of designing selective ligands to target individual proteins, has emerged as a new drug discovery paradigm. Although many methods for single-target virtual screening have been developed to improve the efficiency of drug discovery, few of these algorithms are designed for polypharmacology. Here, we present a novel theoretical framework and a corresponding algorithm for genome-scale multi-target virtual screening based on the one-class collaborative filtering technique. Our method overcomes the sparseness of the protein-chemical interaction data by means of interaction matrix weighting a

SUBMITTER: Lim H 

PROVIDER: S-EPMC5153628 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature