Progress, challenges, and opportunities in the field of biosynthetic reactions involving ambimodal transition states

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389030%3A_____%2F26%3A00646776" target="_blank" >RIV/61389030:_____/26:00646776 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1039/d5np00064e" target="_blank" >https://doi.org/10.1039/d5np00064e</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d5np00064e" target="_blank" >10.1039/d5np00064e</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Progress, challenges, and opportunities in the field of biosynthetic reactions involving ambimodal transition states

Popis výsledku v původním jazyce

High selectivity is generally observed in the biosynthesis of complex natural molecules. Evolution usually leads to enzymes that favor the formation of a particular isomer rather than one of the many other potential molecules. Recent discoveries of enzymes with multiple sequential post-transition state bifurcations (PTSB) after ambimodal transition states demonstrate the impact of dynamics on selectivity. PTSB cause a single ambimodal transition state (TS) to form multiple products. This is different from conventional energetically-controlled mechanisms, where two discrete transition states have different energy barriers. Selectivity arising from ambimodal TSs cannot be fully explained by transition state theory. The presence of PTSB on enzyme catalyzed reaction surfaces has been discovered recently at a significantly higher rate. For both uncatalyzed and catalyzed reactions, computational chemists are devising techniques to comprehend which elements of molecular structure and vibrations govern the product selectivity in systems that contain bifurcations. This review describes enzyme-catalyzed reactions involving ambimodal transition states, and recent advances in understanding how enzymes control selectivity in such reactions.

Název v anglickém jazyce

Progress, challenges, and opportunities in the field of biosynthetic reactions involving ambimodal transition states

Popis výsledku anglicky

High selectivity is generally observed in the biosynthesis of complex natural molecules. Evolution usually leads to enzymes that favor the formation of a particular isomer rather than one of the many other potential molecules. Recent discoveries of enzymes with multiple sequential post-transition state bifurcations (PTSB) after ambimodal transition states demonstrate the impact of dynamics on selectivity. PTSB cause a single ambimodal transition state (TS) to form multiple products. This is different from conventional energetically-controlled mechanisms, where two discrete transition states have different energy barriers. Selectivity arising from ambimodal TSs cannot be fully explained by transition state theory. The presence of PTSB on enzyme catalyzed reaction surfaces has been discovered recently at a significantly higher rate. For both uncatalyzed and catalyzed reactions, computational chemists are devising techniques to comprehend which elements of molecular structure and vibrations govern the product selectivity in systems that contain bifurcations. This review describes enzyme-catalyzed reactions involving ambimodal transition states, and recent advances in understanding how enzymes control selectivity in such reactions.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10608 - Biochemistry and molecular biology

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2026

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Natural Product Reports

ISSN

0265-0568

e-ISSN

1460-4752

Svazek periodika

43

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

13

Strana od-do

7-19

Kód UT WoS článku

001616427900001

EID výsledku v databázi Scopus

2-s2.0-105028871020