A critical review on the use of DP4+ in the structural elucidation of natural products: the good, the bad and the ugly. A practical guide-Reference-Cited by-同舟云学术

A critical review on the use of DP4+ in the structural elucidation of natural products: the good, the bad and the ugly. A practical guide

Published:2022 Issue:1 Volume:39 Page:58-76
ISSN:0265-0568
Container-title:Natural Product Reports
language:en
Short-container-title:Nat. Prod. Rep.

Author:

Marcarino Maribel O.¹,Cicetti Soledad¹,Zanardi María M.²^ORCID,Sarotti Ariel M.¹^ORCID

Affiliation:

1. Instituto de Química Rosario (CONICET), Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Suipacha 531, Rosario 2000, Argentina

2. Instituto de Ingeniería Ambiental, Química y Biotecnología Aplicada (INGEBIO), Facultad de Química e Ingeniería del Rosario, Pontificia Universidad Católica Argentina, Av. Pellegrini 3314, Rosario 2000, Argentina

Abstract

This review provides a critical revision of DP4+, a popular computational method for structural elucidation using DFT NMR calculations. Their strengths and weaknesses are explored, including paths to obtain optimal results.

Funder

Universidad Nacional de Rosario

Agencia Nacional de Promoción Científica y Tecnológica

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Drug Discovery,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NP/D1NP00030F

Reference237 articles.

1. Recent trends in the structural revision of natural products

2. Chasing Molecules That Were Never There: Misassigned Natural Products and the Role of Chemical Synthesis in Modern Structure Elucidation