Literature DB >> 34151218

Artificial Intelligence Set to Reverse Engineer Drug Targeting in the Cell.

Ariel Fernández1,2.   

Abstract

Therapeutic drugs are required to target proteins in the cell, not in vitro. Yet, drug-induced protein folding in vivo is off limits to computational modeling efforts. This situation may change as artificial intelligence empowers molecular dynamics and enables the deconstruction of in vivo cooperativity for structural adaptation.
© 2021 American Chemical Society.

Entities:  

Year:  2021        PMID： 34151218      PMCID： PMC8205240          DOI： 10.1021/acsptsci.1c00107

Source DB:  PubMed          Journal:  ACS Pharmacol Transl Sci        ISSN： 2575-9108


  11 in total

1.  Taming the induced folding of drug-targeted kinases.

Authors:  Ariel Fernández; Soledad Bazán; Jianping Chen
Journal:  Trends Pharmacol Sci       Date:  2008-12-26       Impact factor: 14.819

2.  Atomic-Level Description of Protein Folding inside the GroEL Cavity.

Authors:  Stefano Piana; David E Shaw
Journal:  J Phys Chem B       Date:  2018-10-19       Impact factor: 2.991

3.  Molecular chaperones: providing a safe place to weather a midlife protein-folding crisis.

Authors:  Patricia L Clark; Adrian H Elcock
Journal:  Nat Struct Mol Biol       Date:  2016-07-06       Impact factor: 15.369

Review 4.  Co-translational protein folding: progress and methods.

Authors:  Michael Thommen; Wolf Holtkamp; Marina V Rodnina
Journal:  Curr Opin Struct Biol       Date:  2016-12-09       Impact factor: 6.809

5.  Principles that govern the folding of protein chains.

Authors:  C B Anfinsen
Journal:  Science       Date:  1973-07-20       Impact factor: 47.728

6.  Binding-induced folding under unfolding conditions: Switching between induced fit and conformational selection mechanisms.

Authors:  Sreemantee Sen; Jayant B Udgaonkar
Journal:  J Biol Chem       Date:  2019-10-03       Impact factor: 5.157

Review 7.  Artificial Intelligence Teaches Drugs to Target Proteins by Tackling the Induced Folding Problem.

Authors:  Ariel Fernández
Journal:  Mol Pharm       Date:  2020-07-07       Impact factor: 4.939

8.  Modeling protein folding in vivo.

Authors:  Irina Sorokina; Arcady Mushegian
Journal:  Biol Direct       Date:  2018-07-06       Impact factor: 4.540

9.  Quantifying protein dynamics and stability in a living organism.

Authors:  Ruopei Feng; Martin Gruebele; Caitlin M Davis
Journal:  Nat Commun       Date:  2019-03-12       Impact factor: 14.919

10.  Molecular features of the UNC-45 chaperone critical for binding and folding muscle myosin.

Authors:  Doris Hellerschmied; Anita Lehner; Nina Franicevic; Renato Arnese; Chloe Johnson; Antonia Vogel; Anton Meinhart; Robert Kurzbauer; Luiza Deszcz; Linn Gazda; Michael Geeves; Tim Clausen
Journal:  Nat Commun       Date:  2019-10-21       Impact factor: 14.919
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