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Importance of Inherent Substrate Reactivity in Enzyme‐Promoted Carbocation Cyclization/Rearrangements

https://doi.org/10.1002/anie.201702363

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Catalytic Bases and Stereocontrol in Lamiaceae Class II Diterpene Cyclases

inferred← citeshttps://doi.org/10.1021/acs.biochem.8b00452openalex-snapshot

Slow-Starter Enzymes: Role of Active-Site Architecture in the Catalytic Control of the Biosynthesis of Taxadiene by Taxadiene Synthase

inferred← citeshttps://doi.org/10.1021/acs.biochem.8b00731openalex-snapshot

Studies with Guanidinium- and Amidinium-Based Inhibitors Suggest Minimal Stabilization of Allylic Carbocation Intermediates by Dehydrosqualene and Squalene Synthases

inferred← citeshttps://doi.org/10.1021/acs.jafc.4c07116openalex-snapshot

Molecular Insight into the Catalytic Mechanism of the Sesquiterpene Cyclase BcABA3

inferred← citeshttps://doi.org/10.1021/acs.jafc.9b06203openalex-snapshot

Metabolic Engineering Strategies for Sustainable Terpenoid Flavor and Fragrance Synthesis

inferred← citeshttps://doi.org/10.1021/acs.jcim.5c00034openalex-snapshot

Mechanistic Insights into the Nonenzymatic Biosynthesis of Artemisinin and Related Natural Products: A Quantum Chemical Study

inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00746openalex-snapshot

A Benchmark Study of Quantum Mechanics and Quantum Mechanics-Molecular Mechanics Methods for Carbocation Chemistry

inferred← citeshttps://doi.org/10.1021/acs.jctc.3c01420openalex-snapshot

PointGAT: A Quantum Chemical Property Prediction Model Integrating Graph Attention and 3D Geometry

inferred← citeshttps://doi.org/10.1021/acs.jctc.5c02103openalex-snapshot

RxnNet: An AI Framework for Reaction Mechanism Discovery─A Case Study of Carbocations

inferred← citeshttps://doi.org/10.1021/acs.joc.2c00291openalex-snapshot

DFT Study on the Biosynthesis of Asperterpenol and Preasperterpenoid Sesterterpenoids: Exclusion of Secondary Carbocation Intermediates and Origin of Structural Diversification

inferred← citeshttps://doi.org/10.1021/acs.joc.4c02541openalex-snapshot

Seven-Membered Ring Formation in Triterpene Biosynthesis: A Key Cyclopropane Rearrangement in Ilelic Acid Biosynthesis

inferred← citeshttps://doi.org/10.1021/acs.joc.8b00800openalex-snapshot

Biosynthesis and Conformational Properties of the Irregular Sesquiterpenoids Isothapsadiene and β-Isothapsenol

inferred← citeshttps://doi.org/10.1021/acs.jpca.8b07961openalex-snapshot

Secondary Carbocations in the Biosynthesis of Pupukeanane Sesquiterpenes

inferred← citeshttps://doi.org/10.1021/acscatal.0c00278openalex-snapshot

Thermodynamic and Kinetic Control Determine the Sesquiterpene Reaction Pathways Inside Nanocapsules

inferred← citeshttps://doi.org/10.1021/acscatal.0c00377openalex-snapshot

Mechanistic Characterization of the Fusicoccane-type Diterpene Synthase for Myrothec-15(17)-en-7-ol

inferred← citeshttps://doi.org/10.1021/acscatal.2c05949openalex-snapshot

Alternative Active Site Confinement in Squalene–Hopene Cyclase Enforces Substrate Preorganization for Cyclization

inferred← citeshttps://doi.org/10.1021/acscatal.3c03047openalex-snapshot

Decoding Catalysis by Terpene Synthases

inferred← citeshttps://doi.org/10.1021/acscatal.4c05811openalex-snapshot

An Isopentenol Utilization Pathway-Based “Deuterium-Scanning” Method for Mechanistic Investigations of Terpene Cyclases

inferred← citeshttps://doi.org/10.1021/acscatal.6c06412openalex-snapshot

Mechanism-Driven Enzyme Reshaping: A Catalytic Switch Dictates Product Specificity in Sesquiterpene Synthases

inferred← citeshttps://doi.org/10.1021/acscatal.7b01462openalex-snapshot

Substrate Folding Modes in Trichodiene Synthase: A Determinant of Chemo- and Stereoselectivity

inferred← citeshttps://doi.org/10.1021/acscatal.7b02824openalex-snapshot

Catalytic Control in the Facile Proton Transfer in Taxadiene Synthase

inferred← citeshttps://doi.org/10.1021/acscatal.7b03906openalex-snapshot

Reply to Comment on “Substrate Folding Modes in Trichodiene Synthase: A Determinant of Chemo- and Stereoselectivity”

inferred← citeshttps://doi.org/10.1021/acscatal.8b00342openalex-snapshot

Predicting Productive Binding Modes for Substrates and Carbocation Intermediates in Terpene Synthases—Bornyl Diphosphate Synthase As a Representative Case

inferred← citeshttps://doi.org/10.1021/acsomega.2c04591openalex-snapshot

Theoretical Investigation of the Biogenetic Pathway for Formation of Antibacterial Indole Alkaloids fromVoacanga africana

inferred← citeshttps://doi.org/10.1021/jacs.0c01464openalex-snapshot

Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis

inferred← citeshttps://doi.org/10.1021/jacs.0c11348openalex-snapshot

The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol

inferred← citeshttps://doi.org/10.1021/jacs.0c11850openalex-snapshot

Dynamic Effects on Migratory Aptitudes in Carbocation Reactions

inferred← citeshttps://doi.org/10.1021/jacs.1c12305openalex-snapshot

Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme

inferred← citeshttps://doi.org/10.1021/jacs.2c02288openalex-snapshot

Computational Prediction and Experimental Validation of a Bridged Cation Intermediate in Akanthomycin Biosynthesis

inferred← citeshttps://doi.org/10.1021/jacs.2c04179openalex-snapshot

Source of Rate Acceleration for Carbocation Cyclization in Biomimetic Supramolecular Cages

inferred← citeshttps://doi.org/10.1021/jacs.3c00278openalex-snapshot

Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis

inferred← citeshttps://doi.org/10.1021/jacs.4c01155openalex-snapshot

Unraveling Spatially Dependent Hydrophilicity and Reactivity of Confined Carbocation Intermediates during Methanol Conversion over ZSM-5 Zeolite

inferred← citeshttps://doi.org/10.1021/jacs.4c14664openalex-snapshot

Biomimetic Synthesis of Azorellolide via Cyclopropylcarbinyl Cation Chemistry

inferred← citeshttps://doi.org/10.1021/jacs.4c17818openalex-snapshot

Characterization and Engineering of a Bisabolene Synthase Reveal an Unusual Hydride Shift and Key Residues Critical for Mono-, Bi-, and Tricyclic Sesquiterpenes Formation

inferred← citeshttps://doi.org/10.1021/jacs.5c01828openalex-snapshot

Avoidance of Secondary Carbocations, Unusual Deprotonation, and Nonstatistical Dynamic Effects in the Cyclization Mechanism of Tetraisoquinane

inferred← citeshttps://doi.org/10.1021/jacs.5c08276openalex-snapshot

[1,3]-Hydride Shift in α-Boryl Cations: Strategic Design of Fluorine-Triggered Cyclopropanation

inferred← citeshttps://doi.org/10.1021/jacs.5c16476openalex-snapshot

Post-transition State Bifurcations in Reactions That Form Pimarenyl Cation Diastereomers─Implications for Terpene Biosynthesis

inferred← citeshttps://doi.org/10.1021/jacs.5c17732openalex-snapshot

Structural Mimics of Hydrocarbon Intermediates Reveal Counterclockwise Cyclization Pathways in the Sesquiterpene Synthases TmS and NcECS

inferred← citeshttps://doi.org/10.1021/jacs.6c03321openalex-snapshot

The One Ring: A Monocycle Producing Class II Diterpene Cyclase from Isodon leucophyllus

inferred← citeshttps://doi.org/10.1021/jacs.6c06677openalex-snapshot

Local Active-Site Architecture Directs Divergent Carbocation Cascades in Sesterterpene Synthases

inferred← citeshttps://doi.org/10.1021/jacs.6c13500openalex-snapshot

Discovery and Mechanistic Investigation of a Bacteria-Derived Sesquiterpene Ether Synthase AceS Catalyzing Syn -Protoetherification

inferred← citeshttps://doi.org/10.1021/jacs.7b01042openalex-snapshot

Navigating Past a Fork in the Road: Carbocation−π Interactions Can Manipulate Dynamic Behavior of Reactions Facing Post-Transition-State Bifurcations

inferred← citeshttps://doi.org/10.1021/jacs.7b05381openalex-snapshot

Biomimetic Platinum-Promoted Polyene Polycyclizations: Influence of Alkene Substitution and Pre-cyclization Conformations

inferred← citeshttps://doi.org/10.1021/jacs.8b05804openalex-snapshot

Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity

inferred← citeshttps://doi.org/10.1021/jacs.8b13411openalex-snapshot

Discovering Monoterpene Catalysis Inside Nanocapsules with Multiscale Modeling and Experiments

inferred← citeshttps://doi.org/10.1021/jacs.9b07438openalex-snapshot

Synthesis, Characterization, and Reactivity of Complex Tricyclic Oxonium Ions, Proposed Intermediates in Natural Product Biosynthesis

inferred← citeshttps://doi.org/10.1021/jacs.9b12398openalex-snapshot

Predicting Rearrangement-Competent Terpenoid Oxidation Levels

inferred← citeshttps://doi.org/10.1038/s41467-018-06325-8openalex-snapshot

Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis

inferred← citeshttps://doi.org/10.1038/s41589-018-0185-2openalex-snapshot

Uncoupled activation and cyclization in catmint reductive terpenoid biosynthesis

inferred← citeshttps://doi.org/10.1038/s41929-022-00735-0openalex-snapshot

Catalytic role of carbonyl oxygens and water in selinadiene synthase

inferred← citeshttps://doi.org/10.1039/9781788019705-00133openalex-snapshot

Reactivity in a Self-assembled Organic Host

inferred← citeshttps://doi.org/10.1039/bk9781839169502-00045openalex-snapshot

Olefin and Alkyne Functional Groups

inferred← citeshttps://doi.org/10.1039/c7sc03903dopenalex-snapshot

Bioinspired synthesis of pentacyclic onocerane triterpenoids

inferred← citeshttps://doi.org/10.1039/c8cc01744aopenalex-snapshot

The absolute configuration of isochamigrene: new insights into the cyclisation mechanism of trichodiene synthase

inferred← citeshttps://doi.org/10.1039/c8np00026copenalex-snapshot

Cyclopentane-forming di/sesterterpene synthases: widely distributed enzymes in bacteria, fungi, and plants

inferred← citeshttps://doi.org/10.1039/c8ob02744gopenalex-snapshot

Mechanistic characterization of three sesquiterpene synthases from the termite-associated fungus Termitomyces

inferred← citeshttps://doi.org/10.1039/c8ob02821dopenalex-snapshot

Silent catalytic promiscuity in the high-fidelity terpene cyclase δ-cadinene synthase

inferred← citeshttps://doi.org/10.1039/c8sc03567aopenalex-snapshot

Pushing the limits of concertedness. A waltz of wandering carbocations

inferred← citeshttps://doi.org/10.1039/c9cc07681fopenalex-snapshot

Characterisation of three terpene synthases for β-barbatene, β-araneosene and nephthenol from social amoebae

inferred← citeshttps://doi.org/10.1039/c9np00003hopenalex-snapshot

En route to terpene natural products utilizing supramolecular cyclase mimetics

inferred← citeshttps://doi.org/10.1039/c9np00055kopenalex-snapshot

Nature-driven approaches to non-natural terpene analogues

inferred← citeshttps://doi.org/10.1039/d0cp05000hopenalex-snapshot

Effects of electrostatic drag on the velocity of hydrogen migration – pre- and post-transition state enthalpy/entropy compensation

inferred← citeshttps://doi.org/10.1039/d0ob00606hopenalex-snapshot

Sesquiterpene synthases for bungoene, pentalenene and epi -isozizaene from Streptomyces bungoensis

inferred← citeshttps://doi.org/10.1039/d0ob02361bopenalex-snapshot

Mechanistic divergence between (4 S ,7 R )-germacra-(1(10) E ,5 E )-dien-11-ol synthases from Dictyostelium purpureum and Streptomyces coelicolor

inferred← citeshttps://doi.org/10.1039/d1np00047kopenalex-snapshot

Biosynthesis, evolution and ecology of microbial terpenoids

inferred← citeshttps://doi.org/10.1039/d2cp04603bopenalex-snapshot

A comprehensive benchmark investigation of quantum chemical methods for carbocations

inferred← citeshttps://doi.org/10.1039/d3np00006kopenalex-snapshot

Structural diversity, hypothetical biosynthesis, chemical synthesis, and biological activity of Ganoderma meroterpenoids

inferred← citeshttps://doi.org/10.1039/d3ob00728fopenalex-snapshot

Theoretical study of the rearrangement reaction in bisorbicillinoid biosynthesis: insights into the molecular mechanisms involved

inferred← citeshttps://doi.org/10.1039/d3ob02088fopenalex-snapshot

Mechanistic characterisation of a sesquiterpene synthase for asterisca-1,6-diene from the liverwort Radula lindenbergiana and implications for pentalenene biosynthesis

inferred← citeshttps://doi.org/10.1039/d5ob01857aopenalex-snapshot

Basic importance: mechanistic molecular modeling of the ent -copalyl diphosphate synthase from Arabidopsis thaliana (AtCPS)

inferred← citeshttps://doi.org/10.1042/bcj20250294openalex-snapshot

Docking in the Abies grandis abietaenol synthase to investigate the mechanism underlying conifer resin acid diterpene synthase evolution

inferred← citeshttps://doi.org/10.1074/jbc.m117.800979openalex-snapshot

Inverted stereocontrol of iridoid synthase in snapdragon

inferred← citeshttps://doi.org/10.11606/t.75.2019.tde-10052021-111538openalex-snapshot

Estudo Químico Quântico Computacional da Biossíntese do Triterpeno Pentacíclico Friedelina

inferred← citeshttps://doi.org/10.1186/s12859-025-06341-8openalex-snapshot

MARTS-DB: a database of mechanisms and reactions of terpene synthases

inferred← citeshttps://doi.org/10.1186/s40643-022-00493-8openalex-snapshot

Toward improved terpenoids biosynthesis: strategies to enhance the capabilities of cell factories

inferred← citeshttps://doi.org/10.1246/bcsj.20230187openalex-snapshot

Controlled Chemical Construction in Nature: Unified Biogenesis Accounting for Synthesis of Fungal Dimeric Anhydrides

inferred← citeshttps://doi.org/10.1248/cpb.c24-00082openalex-snapshot

Theoretical Study of Natural Product Biosynthesis Using Computational Chemistry

inferred← citeshttps://doi.org/10.26434/chemrxiv.9891341openalex-snapshot

Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis

inferred← citeshttps://doi.org/10.3389/fpls.2026.1833733openalex-snapshot

Integrated characterization of six sesquiterpene synthases unravels diversified terpene biosynthesis in the mint species Leucosceptrum canum

inferred← citeshttps://doi.org/10.3390/genes12121974openalex-snapshot

The Terpene Mini-Path, a New Promising Alternative for Terpenoids Bio-Production

inferred← citeshttps://doi.org/10.3762/bjoc.15.184openalex-snapshot

Inherent atomic mobility changes in carbocation intermediates during the sesterterpene cyclization cascade

inferred← citeshttps://doi.org/10.3762/bjoc.15.228openalex-snapshot

Current understanding and biotechnological application of the bacterial diterpene synthase CotB2

inferred← citeshttps://doi.org/10.3762/bjoc.15.258openalex-snapshot

Acid-catalyzed rearrangements in arenes: interconversions in the quaterphenyl series

inferred← citeshttps://doi.org/10.3762/bjoc.15.292openalex-snapshot

Terpenes

inferred← citeshttps://doi.org/10.3762/bjoc.15.75openalex-snapshot

Stereochemical investigations on the biosynthesis of achiral (Z)-γ-bisabolene in Cryptosporangium arvum

inferred← citeshttps://doi.org/10.3762/bjoc.15.99openalex-snapshot

Mechanistic investigations on multiproduct β-himachalene synthase from Cryptosporangium arvum

inferred← citeshttps://doi.org/10.3762/bjoc.16.7openalex-snapshot

Understanding the role of active site residues in CotB2 catalysis using a cluster model

inferred← citeshttps://doi.org/10.3762/bjoc.18.97openalex-snapshot

Understanding the competing pathways leading to hydropyrene and isoelisabethatriene

inferred← citeshttps://doi.org/10.3762/bjoc.19.107openalex-snapshot

Unraveling the role of prenyl side-chain interactions in stabilizing the secondary carbocation in the biosynthesis of variexenol B

inferred← citeshttps://doi.org/10.3762/bjoc.20.101openalex-snapshot

Stability trends in carbocation intermediates stemming from germacrene A and hedycaryol

inferred← citeshttps://doi.org/10.3762/bjoc.20.115openalex-snapshot

Computation-guided scaffold exploration of 2 E ,6 E -1,10- trans/cis- eunicellanes

inferred← citeshttps://doi.org/10.5059/yukigoseikyokaishi.78.952openalex-snapshot

Biosynthetic Reaction Mechanism of Terpene Synthases by Using Deuterium Labelled Acyclic Terpenes

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