Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases.


Journal

ACS catalysis
ISSN: 2155-5435
Titre abrégé: ACS Catal
Pays: United States
ID NLM: 101562209

Informations de publication

Date de publication:
01 Dec 2023
Historique:
received: 21 08 2023
revised: 06 10 2023
accepted: 30 10 2023
medline: 7 12 2023
pubmed: 7 12 2023
entrez: 7 12 2023
Statut: epublish

Résumé

We demonstrate here through molecular simulations and mutational studies the origin of the enantioselectivity in the photoinduced radical cyclization of α-chloroacetamides catalyzed by ene-reductases, in particular the

Identifiants

pubmed: 38058601
doi: 10.1021/acscatal.3c03934
pmc: PMC10696551
doi:

Types de publication

Journal Article

Langues

eng

Pagination

15310-15321

Informations de copyright

© 2023 The Authors. Published by American Chemical Society.

Déclaration de conflit d'intérêts

The authors declare no competing financial interest.

Références

J Comput Chem. 2005 Dec;26(16):1701-18
pubmed: 16211538
J Biol Inorg Chem. 2017 Jun;22(4):615-623
pubmed: 28378164
Bioorg Med Chem. 2016 Oct 15;24(20):4812-4825
pubmed: 27353885
Angew Chem Int Ed Engl. 2015 Mar 9;54(11):3351-67
pubmed: 25649694
J Comput Chem. 2010 Mar;31(4):671-90
pubmed: 19575467
Science. 2019 Jun 21;364(6446):1166-1169
pubmed: 31221855
J Phys Chem Lett. 2017 Jul 20;8(14):3321-3327
pubmed: 28665138
Angew Chem Int Ed Engl. 2023 Apr 11;62(16):e202216276
pubmed: 36791234
Angew Chem Int Ed Engl. 2013 Sep 9;52(37):9677-81
pubmed: 23881738
J Phys Chem Lett. 2018 Jun 7;9(11):2782-2790
pubmed: 29722985
Annu Rev Phys Chem. 1995;46:701-28
pubmed: 24341393
Nat Synth. 2022 Jan;1(1):18-23
pubmed: 35415721
J Am Chem Soc. 2022 Mar 30;144(12):5214-5225
pubmed: 35290055
Org Biomol Chem. 2016 Jun 28;14(24):5639-51
pubmed: 27049844
Proc Natl Acad Sci U S A. 2015 Dec 22;112(51):E7065-72
pubmed: 26644568
J Mol Graph. 1996 Feb;14(1):33-8, 27-8
pubmed: 8744570
Inorg Chem. 2018 Sep 17;57(18):11738-11745
pubmed: 30156099
Nat Chem. 2020 Jan;12(1):71-75
pubmed: 31792387
J Chem Phys. 2009 Feb 28;130(8):084109
pubmed: 19256599
J Med Chem. 2014 Dec 26;57(24):10257-74
pubmed: 25255204
Angew Chem Int Ed Engl. 2019 Jan 2;58(1):36-40
pubmed: 30520553
J Am Chem Soc. 2022 Jul 27;144(29):13344-13355
pubmed: 35830682
J Am Chem Soc. 2021 Jan 13;143(1):97-102
pubmed: 33369395
Nature. 2023 May;617(7961):623-628
pubmed: 37138082
Nature. 2012 May 09;485(7397):185-94
pubmed: 22575958
Chem Sci. 2018 Oct 3;9(48):9002-9011
pubmed: 30647892
Nat Prod Rep. 2018 Feb 21;35(2):174-202
pubmed: 29417970
J Phys Chem B. 2014 Jul 10;118(27):7554-7560
pubmed: 24950346
Nature. 2020 Aug;584(7819):69-74
pubmed: 32512577
J Comput Chem. 2010 Jan 30;31(2):455-61
pubmed: 19499576
Nat Chem. 2015 Jan;7(1):57-64
pubmed: 25515891
Angew Chem Int Ed Engl. 2022 Jan 10;61(2):e202113842
pubmed: 34739168
Photochem Photobiol. 2021 Mar;97(2):243-269
pubmed: 33369749
J Phys Chem Lett. 2014 May 1;5(9):1534-40
pubmed: 26270092
Biochemistry. 2021 Aug 3;60(30):2341-2348
pubmed: 34283569
Angew Chem Int Ed Engl. 2011 Jan 3;50(1):138-74
pubmed: 20715024
Structure. 1994 Nov 15;2(11):1089-105
pubmed: 7881908
J Am Chem Soc. 2021 Dec 1;143(47):19643-19647
pubmed: 34784482
J Am Chem Soc. 2023 Jun 21;145(24):13232-13240
pubmed: 37289179
Curr Opin Chem Biol. 2019 Apr;49:67-75
pubmed: 30343008
Chem Rev. 2003 Aug;103(8):3263-96
pubmed: 12914498
J Chem Phys. 2007 Jan 7;126(1):014101
pubmed: 17212484
Nat Methods. 2017 Jan;14(1):71-73
pubmed: 27819658
J Chem Theory Comput. 2011 Feb 8;7(2):525-37
pubmed: 26596171
J Comput Chem. 2019 Dec 15;40(32):2834-2842
pubmed: 31471978

Auteurs

Matteo Capone (M)

Department of Physical and Chemical Sciences, University of L'Aquila, via Vetoio (Coppito 1), L'Aquila 67010, Italy.

Gianluca Dell'Orletta (G)

Department of Physical and Chemical Sciences, University of L'Aquila, via Vetoio (Coppito 1), L'Aquila 67010, Italy.

Bryce T Nicholls (BT)

Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States.

Gregory D Scholes (GD)

Department of Chemistry, Frick Laboratory, Princeton University, Princeton, New Jersey 08544, United States.

Todd K Hyster (TK)

Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States.

Massimiliano Aschi (M)

Department of Physical and Chemical Sciences, University of L'Aquila, via Vetoio (Coppito 1), L'Aquila 67010, Italy.

Isabella Daidone (I)

Department of Physical and Chemical Sciences, University of L'Aquila, via Vetoio (Coppito 1), L'Aquila 67010, Italy.

Classifications MeSH