Literature DB >> 31803392

Is it time for artificial intelligence to predict the function of natural products based on 2D-structure.

Miaomiao Liu1, Peter Karuso2, Yunjiang Feng1, Esther Kellenberger3, Fei Liu2, Can Wang4, Ronald J Quinn1.   

Abstract

Currently, there is no established technique that allows the function of a compound produced by nature to be predicted by looking at its 2-dimensional chemical structure. One of chemistry's grand challenges: to find a function for every known metabolite. We explore the opportunity for Artificial Intelligence to provide rationale interrogation of metabolites to predict their function. This journal is © The Royal Society of Chemistry 2019.

Year:  2019        PMID： 31803392      PMCID： PMC6836574          DOI： 10.1039/c9md00128j

Source DB:  PubMed          Journal:  Medchemcomm        ISSN： 2040-2503            Impact factor:   3.597


  42 in total

1.  The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification.

Authors:  Ansgar Schuffenhauer; Peter Ertl; Silvio Roggo; Stefan Wetzel; Marcus A Koch; Herbert Waldmann
Journal:  J Chem Inf Model       Date:  2007 Jan-Feb       Impact factor: 4.956

Review 2.  Natural products as lead structures: chemical transformations to create lead-like libraries.

Authors:  Mauro Pascolutti; Ronald J Quinn
Journal:  Drug Discov Today       Date:  2013-10-27       Impact factor: 7.851

3.  Achyrodimer F, a tyrosyl-DNA phosphodiesterase I inhibitor from an Australian fungus of the family Cortinariaceae.

Authors:  Li-Wen Tian; Yunjiang Feng; Trong D Tran; Yoko Shimizu; Tom Pfeifer; Hoan T Vu; Ronald J Quinn
Journal:  Bioorg Med Chem Lett       Date:  2017-07-24       Impact factor: 2.823

Review 4.  Next-Generation Machine Learning for Biological Networks.

Authors:  Diogo M Camacho; Katherine M Collins; Rani K Powers; James C Costello; James J Collins
Journal:  Cell       Date:  2018-06-07       Impact factor: 41.582

5.  Petrosamine B, an inhibitor of the Helicobacter pylori enzyme aspartyl semialdehyde dehydrogenase from the Australian sponge Oceanapia sp.

Authors:  Anthony R Carroll; Anna Ngo; Ronald J Quinn; Joanne Redburn; John N A Hooper
Journal:  J Nat Prod       Date:  2005-05       Impact factor: 4.050

6.  Grandisine A and B, novel indolizidine alkaloids with human delta-opioid receptor binding affinity from the leaves of the Australian rainforest tree Elaeocarpus grandis.

Authors:  Anthony R Carroll; Garrie Arumugan; Ronald J Quinn; Joanne Redburn; Gordon Guymer; Paul Grimshaw
Journal:  J Org Chem       Date:  2005-03-04       Impact factor: 4.354

7.  Plasmodium gametocyte inhibition identified from a natural-product-based fragment library.

Authors:  Hoan Vu; Catherine Roullier; Marc Campitelli; Katharine R Trenholme; Donald L Gardiner; Katherine T Andrews; Tina Skinner-Adams; Gregory J Crowther; Wesley C Van Voorhis; Ronald J Quinn
Journal:  ACS Chem Biol       Date:  2013-10-03       Impact factor: 5.100

8.  Spermatinamine, the first natural product inhibitor of isoprenylcysteine carboxyl methyltransferase, a new cancer target.

Authors:  Malcolm S Buchanan; Anthony R Carroll; Gregory A Fechner; Anthony Boyle; Moana M Simpson; Rama Addepalli; Vicky M Avery; John N A Hooper; Nancy Su; Huawei Chen; Ronald J Quinn
Journal:  Bioorg Med Chem Lett       Date:  2007-10-16       Impact factor: 2.823

9.  Fragment-Based Screening of a Natural Product Library against 62 Potential Malaria Drug Targets Employing Native Mass Spectrometry.

Authors:  Hoan Vu; Liliana Pedro; Tin Mak; Brendan McCormick; Jessica Rowley; Miaomiao Liu; Angela Di Capua; Billy Williams-Noonan; Ngoc B Pham; Rebecca Pouwer; Bao Nguyen; Katherine T Andrews; Tina Skinner-Adams; Jessica Kim; Wim G J Hol; Raymond Hui; Gregory J Crowther; Wesley C Van Voorhis; Ronald J Quinn
Journal:  ACS Infect Dis       Date:  2018-03-03       Impact factor: 5.084

10.  NMR fingerprints of the drug-like natural-product space identify iotrochotazine A: a chemical probe to study Parkinson's disease.

Authors:  Tanja Grkovic; Rebecca H Pouwer; Marie-Laure Vial; Luca Gambini; Alba Noël; John N A Hooper; Stephen A Wood; George D Mellick; Ronald J Quinn
Journal:  Angew Chem Int Ed Engl       Date:  2014-04-15       Impact factor: 15.336
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  2 in total

Review 1.  Ethnobotany and the Role of Plant Natural Products in Antibiotic Drug Discovery.

Authors:  Gina Porras; François Chassagne; James T Lyles; Lewis Marquez; Micah Dettweiler; Akram M Salam; Tharanga Samarakoon; Sarah Shabih; Darya Raschid Farrokhi; Cassandra L Quave
Journal:  Chem Rev       Date:  2020-11-09       Impact factor: 60.622

Review 2.  Screening of Marine Bioactive Antimicrobial Compounds for Plant Pathogens.

Authors:  Xiaohui Li; Hejing Zhao; Xiaolin Chen
Journal:  Mar Drugs       Date:  2021-01-28       Impact factor: 5.118
  2 in total

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