The hitchhiker's guide to the chemical-biological galaxy. Issue 3 (March 2018)

• Record Type: Journal Article
• Authors: Opassi, Giulia; Gesù, Alessandro; Massarotti, Alberto
• Is Part Of: Drug discovery today. Volume 23:Issue 3(2018)
• Page Start: 565
• Page End: 574
• Publication Date: 2018-03
• Subjects: Drugs -- Design -- Periodicals; Drugs -- Research -- Periodicals; 615.1
• DOI: 10.1016/j.drudis.2018.01.007
• Languages: English
• ISSNs: 1359-6446

Abstract

Graphical abstract: Highlights: Chemical and biological space are intrinsically connected and complementary. ‎Exploring the two spaces without being lost is possible with computational "maps".‎ New in silico approaches for better exploration and data mining are needed. Scientists are working actively on this‎...and you? don't panic! Abstract : We are used to considering chemical and biological spaces as two different entities; although they represent a more-interconnected world, in fact they represent a Yin-Yang concept in drug discovery. Chemical-biological space is as vast as the universe and, as Douglas Adams famously said, 'Space is big. You just won't believe how vastly, hugely, mind-bogglingly big it is'. However, many researchers are convinced that it is not so infinite, and are designing computational and experimental tools to help identify and explore all possible chemical-biological space. Here, we provide an analysis of their approaches and discuss possible future research studies. Teaser: This review provides an overview of the current state of the designing computational and experimental tools to help identify and explore all possible chemical-biological space.