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Understanding the competing pathways leading to hydropyrene and isoelisabethatriene

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avis › Tidsskriftartikel › Forskning › peer review

Standard

Understanding the competing pathways leading to hydropyrene and isoelisabethatriene. / Zev, Shani; Ringel, Marion; Driller, Ronja et al.
I: Beilstein Journal of Organic Chemistry, Bind 18, 08.2022, s. 972-978.

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avis › Tidsskriftartikel › Forskning › peer review

Harvard

Zev, S, Ringel, M, Driller, R, Loll, B, Brück, T & Major, DT 2022, 'Understanding the competing pathways leading to hydropyrene and isoelisabethatriene', Beilstein Journal of Organic Chemistry, bind 18, s. 972-978. https://doi.org/10.3762/bjoc.18.97

APA

Zev, S., Ringel, M., Driller, R., Loll, B., Brück, T., & Major, D. T. (2022). Understanding the competing pathways leading to hydropyrene and isoelisabethatriene. Beilstein Journal of Organic Chemistry, 18, 972-978. https://doi.org/10.3762/bjoc.18.97

CBE

Zev S, Ringel M, Driller R, Loll B, Brück T, Major DT. 2022. Understanding the competing pathways leading to hydropyrene and isoelisabethatriene. Beilstein Journal of Organic Chemistry. 18:972-978. https://doi.org/10.3762/bjoc.18.97

MLA

Zev, Shani et al. "Understanding the competing pathways leading to hydropyrene and isoelisabethatriene". Beilstein Journal of Organic Chemistry. 2022, 18. 972-978. https://doi.org/10.3762/bjoc.18.97

Vancouver

Zev S, Ringel M, Driller R, Loll B, Brück T, Major DT. Understanding the competing pathways leading to hydropyrene and isoelisabethatriene. Beilstein Journal of Organic Chemistry. 2022 aug.;18:972-978. doi: 10.3762/bjoc.18.97

Author

Zev, Shani ; Ringel, Marion ; Driller, Ronja et al. / Understanding the competing pathways leading to hydropyrene and isoelisabethatriene. I: Beilstein Journal of Organic Chemistry. 2022 ; Bind 18. s. 972-978.

Bibtex

@article{3a5592b4bd6044a6bd5083e4e72afd01,
title = "Understanding the competing pathways leading to hydropyrene and isoelisabethatriene",
abstract = "Terpene synthases are responsible for the biosynthesis of terpenes, the largest family of natural products. Hydropyrene synthase generates hydropyrene and hydropyrenol as its main products along with two byproducts, isoelisabethatrienes A and B. Fascinatingly, a single active site mutation (M75L) diverts the product distribution towards isoelisabethatrienes A and B. In the current work, we study the competing pathways leading to these products using quantum chemical calculations in the gas phase. We show that there is a great thermodynamic preference for hydropyrene and hydropyrenol formation, and hence most likely in the synthesis of the isoelisabethatriene products kinetic control is at play.",
keywords = "diterpenes, enzyme mechanism, kinetic control, quantum mechanics, terpene synthases, thermodynamic",
author = "Shani Zev and Marion Ringel and Ronja Driller and Bernhard Loll and Thomas Br{\"u}ck and Major, {Dan T.}",
year = "2022",
month = aug,
doi = "10.3762/bjoc.18.97",
language = "English",
volume = "18",
pages = "972--978",
journal = "Beilstein Journal of Organic Chemistry",
issn = "2195-951X",
publisher = "Beilstein - Institut zur Foerderung der Chemischen Wissenschaften",

}

RIS

TY - JOUR

T1 - Understanding the competing pathways leading to hydropyrene and isoelisabethatriene

AU - Zev, Shani

AU - Ringel, Marion

AU - Driller, Ronja

AU - Loll, Bernhard

AU - Brück, Thomas

AU - Major, Dan T.

PY - 2022/8

Y1 - 2022/8

N2 - Terpene synthases are responsible for the biosynthesis of terpenes, the largest family of natural products. Hydropyrene synthase generates hydropyrene and hydropyrenol as its main products along with two byproducts, isoelisabethatrienes A and B. Fascinatingly, a single active site mutation (M75L) diverts the product distribution towards isoelisabethatrienes A and B. In the current work, we study the competing pathways leading to these products using quantum chemical calculations in the gas phase. We show that there is a great thermodynamic preference for hydropyrene and hydropyrenol formation, and hence most likely in the synthesis of the isoelisabethatriene products kinetic control is at play.

AB - Terpene synthases are responsible for the biosynthesis of terpenes, the largest family of natural products. Hydropyrene synthase generates hydropyrene and hydropyrenol as its main products along with two byproducts, isoelisabethatrienes A and B. Fascinatingly, a single active site mutation (M75L) diverts the product distribution towards isoelisabethatrienes A and B. In the current work, we study the competing pathways leading to these products using quantum chemical calculations in the gas phase. We show that there is a great thermodynamic preference for hydropyrene and hydropyrenol formation, and hence most likely in the synthesis of the isoelisabethatriene products kinetic control is at play.

KW - diterpenes

KW - enzyme mechanism

KW - kinetic control

KW - quantum mechanics

KW - terpene synthases

KW - thermodynamic

UR - http://www.scopus.com/inward/record.url?scp=85138053221&partnerID=8YFLogxK

U2 - 10.3762/bjoc.18.97

DO - 10.3762/bjoc.18.97

M3 - Journal article

C2 - 35965858

AN - SCOPUS:85138053221

VL - 18

SP - 972

EP - 978

JO - Beilstein Journal of Organic Chemistry

JF - Beilstein Journal of Organic Chemistry

SN - 2195-951X

ER -