Computationally-assisted discovery and structure elucidation of natural products

Computer hardware development coupled with the development of quantum chemistry, new computational models and algorithms, and user-friendly interfaces have lowered the barriers to the use of computation in the discovery and structure elucidation of natural products. Consequently, the use of computat...

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Bibliographic Details
Published in:Journal of natural medicines 2019-09, Vol.73 (4), p.687-695
Main Authors: Nugroho, Alfarius Eko, Morita, Hiroshi
Format: Article
Language:English
Subjects:
Biological Products - chemistry
Biomedical and Life Sciences
Biomedicine
Complementary & Alternative Medicine
Computational Biology - methods
Computer applications
Computer Simulation
Interfaces
Mathematical models
Medicinal Chemistry
Natural products
Pharmacology/Toxicology
Pharmacy
Phytochemicals
Plant Sciences
Review
Software
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Summary:Computer hardware development coupled with the development of quantum chemistry, new computational models and algorithms, and user-friendly interfaces have lowered the barriers to the use of computation in the discovery and structure elucidation of natural products. Consequently, the use of computational chemistry software as a tool to discover and determine the structure of natural products has become more common in recent years. In this review, we provide several examples of recent studies that used computer technology to facilitate the discovery and structure determination of various natural products.
ISSN:1340-3443
1861-0293
DOI:10.1007/s11418-019-01321-8