Combination of Machine Learning and Empirical Computation for the Structural Validation of Trirosaline, a Natural Trimeric Monoterpene Indole Alkaloid from <i>Catharanthus roseus</i>-Reference-Cited by-同舟云学术

Combination of Machine Learning and Empirical Computation for the Structural Validation of Trirosaline, a Natural Trimeric Monoterpene Indole Alkaloid from Catharanthus roseus

Published:2023-12-22 Issue:1 Volume:26 Page:274-279
ISSN:1523-7060
Container-title:Organic Letters
language:en
Short-container-title:Org. Lett.

Author:

Szwarc Sarah¹,Jagora Adrien¹,Derbré Séverine²^ORCID,Leblanc Karine¹,Rharrabti Somia¹,Said-Hassane Charifat³,El Kalamouni Chaker³,Gallard Jean-François⁴,Le Pogam Pierre¹,Beniddir Mehdi A.¹^ORCID

Affiliation:

1. Équipe “Chimie des Substances Naturelles” Université Paris-Saclay, CNRS, BioCIS, 17 avenue des Sciences, 91400 Orsay, France

2. Université Angers, SONAS, SFR QUASAV, Faculty of Health Sciences, Department of Pharmacy, 16 Bd Daviers, 49045 CEDEX 01 Angers, France

3. Unité Mixte Processus Infectieux en Milieu Insulaire Tropical, Université de la Réunion, INSERM U1187, CNRS UMR 9192, IRD UMR 249, Plateforme Technologique CYROI, 97490 Sainte Clotilde, La Réunion, France

4. Institut de Chimie des Substances Naturelles, CNRS, ICSN UPR 2301, Université Paris-Saclay, 91198 Gif-sur-Yvette, France

Funder

Agence Nationale de la Recherche

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.orglett.3c03972

Reference28 articles.

1. Molecular Networking Reveals Serpentinine-Related Bisindole Alkaloids from Picralima nitida, a Previously Well-Investigated Species

2. Structure Reassignment of Melonine and Quantum-Chemical Calculations-Based Assessment of Biosynthetic Scenarios Leading to Its Revised and Original Structures

3. Voatriafricanines A and B, Trimeric Vobasine-Aspidosperma-Aspidosperma Alkaloids from Voacanga africana

4. Pyrrovobasine, hybrid alkylated pyrraline monoterpene indole alkaloid pseudodimer discovered using a combination of mass spectral and NMR-based machine learning annotations

5. From the Spectroscopic Reassessment of Authentic Alkaloid Samples to the Molecular Networking-Guided Discovery of Criophylline-Related Analogues from Callichilia inaequalis

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