In Silico Chemogenomics Drug Repositioning Strategies for Neglected Tropical Diseases.

摘要: Only ~1% of all drug candidates against Neglected Tropical Diseases (NTDs) have reached clinical trials in the last decades, underscoring need for new, safe and effective treatments. In such context, repositioning, which allows finding novel indications approved drugs whose pharmacokinetic safety profiles are already known, emerging as a promising strategy tackling NTDs. Chemogenomics is direct descendent typical discovery process that involves systematic screening chemical compounds targets high-throughput (HTS) efforts, identification lead compounds. However, different to one-drug-one-target paradigm, chemogenomics attempts identify potential ligands possible diseases. this review, we summarize current methodological development efforts repositioning use state-of-the-art computational ligand- structure-based approaches. Furthermore, highlighted recent progress some NTDs, based on curation modeling genomic, biological, data. Additionally, also present in-house other successful examples suggest solutions existing pitfalls.