Literature DB >> 29330125

The hitchhiker's guide to the chemical-biological galaxy.

Giulia Opassi1, Alessandro Gesù2, Alberto Massarotti3.   

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.
Copyright © 2018 Elsevier Ltd. All rights reserved.

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Year:  2018        PMID: 29330125     DOI: 10.1016/j.drudis.2018.01.007

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  3 in total

1.  Knowledge discovery through chemical space networks: the case of organic electronics.

Authors:  Christian Kunkel; Christoph Schober; Harald Oberhofer; Karsten Reuter
Journal:  J Mol Model       Date:  2019-03-07       Impact factor: 1.810

2.  Interrogating dense ligand chemical space with a forward-synthetic library.

Authors:  Florent Chevillard; Silvia Stotani; Anna Karawajczyk; Stanimira Hristeva; Els Pardon; Jan Steyaert; Dimitrios Tzalis; Peter Kolb
Journal:  Proc Natl Acad Sci U S A       Date:  2019-05-21       Impact factor: 11.205

3.  DrugSpaceX: a large screenable and synthetically tractable database extending drug space.

Authors:  Tianbiao Yang; Zhaojun Li; Yingjia Chen; Dan Feng; Guangchao Wang; Zunyun Fu; Xiaoyu Ding; Xiaoqin Tan; Jihui Zhao; Xiaomin Luo; Kaixian Chen; Hualiang Jiang; Mingyue Zheng
Journal:  Nucleic Acids Res       Date:  2021-01-08       Impact factor: 16.971

  3 in total

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