Abstract:
:Covering: up to 2019This review covers the current status of the quantum mechanical prediction of chiroptical properties, such as electronic CD and optical rotation, as needed for stereochemical assignments in new natural products. The reliability of the prediction of chiroptical properties is steadily increasing, with a parallel decrease in the required computational resources. Now, quantum mechanical calculations for a medium-sized natural product can be reliably performed by natural product chemists on a mainstream PC. This review is aimed to guide natural product chemists through the numerous steps involved in such calculations. Through a concise, but comprehensive, discussion of the current computational practice, enriched by a few illustrative examples, this review provides readers with the theoretical background and practical knowledge needed to select the most appropriate parameters for performing the calculations, to anticipate possible problems, and to critically evaluate the reliability of their computational results. Common reasons for mistakes are also discussed; in particular, the importance of the correct evaluation of conformational ensembles of flexible molecules (an aspect often overlooked in current research) is stressed.
journal_name
Nat Prod Repjournal_title
Natural product reportsauthors
Grauso L,Teta R,Esposito G,Menna M,Mangoni Adoi
10.1039/c9np00018fsubject
Has Abstractpub_date
2019-07-01 00:00:00pages
1005-1030issue
7eissn
0265-0568issn
1460-4752journal_volume
36pub_type
杂志文章,评审abstract::The mangrove flora is a diverse group of salt-tolerant plants growing in tropical and subtropical intertidal estuarine zones. This review summarizes the source, chemistry and bioactivities of natural products from true mangrove species worldwide. It includes 349 metabolites and 150 references. The molecular phylogeny ...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b807365a
更新日期:2008-10-01 00:00:00
abstract::Covering: 2011-2017Radical cyclizations have a rich history in organic chemistry and have been particularly generous to the field of natural product synthesis. Owing to their ability to operate in highly congested molecular quarters, and with significant functional group compatibility, these transformations have enabl...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c7np00065k
更新日期:2018-02-21 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
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更新日期:2020-01-01 00:00:00
abstract::This review article provides an overview on the current state of research in the area of microtubule-stabilizing agents from natural sources, with a primary focus on the biochemistry, biology, and pharmacology associated with these compounds. A variety of natural products have been discovered over the last decade to i...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b515619j
更新日期:2007-04-01 00:00:00
abstract::Covering: up to January 2017Cytochrome P450 enzymes (P450s) are some of the most exquisite and versatile biocatalysts found in nature. In addition to their well-known roles in steroid biosynthesis and drug metabolism in humans, P450s are key players in natural product biosynthetic pathways. Natural products, the most ...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c7np00034k
更新日期:2017-08-30 00:00:00
abstract::The fungal genus Trichoderma has various applications in industry and in medicine, and several species have economic importance as sources of enzymes, antibiotics, plant growth promoters, decomposers of xenobiotics, and as commercial biofungicides. Peptaibiotics and peptaibols are a class of linear peptides synthesize...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b618086h
更新日期:2007-10-01 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c7np00023e
更新日期:2017-07-06 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b705652b
更新日期:2008-04-01 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b814468k
更新日期:2009-01-01 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
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更新日期:2013-10-11 00:00:00
abstract::The cyclic depsipeptide largazole from a cyanobacterium of the genus Symploca is a marine natural product with a novel chemical scaffold and potently inhibits class I histone deacetylases (HDACs). Largazole possesses highly differential growth-inhibitory activity, preferentially targeting transformed over non-transfor...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c2np00066k
更新日期:2012-04-01 00:00:00
abstract::From the basic export of unwanted metal ions in simple organisms to the complex orchestration of metal handling and usage in higher eukaryotes, cellular systems are based on a variety of molecular mechanisms that constrain the right metal to bind to the right protein partner at the right time when needed. A failure to...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b906678k
更新日期:2010-05-01 00:00:00
abstract::Covering: up to 2018 Ovothiols are sulfur-containing natural products biosynthesized by marine invertebrates, microalgae, and bacteria. These compounds are characterized by unique chemical properties suggestive of numerous cellular functions. For example, ovothiols may be cytoprotectants against oxidative stress, serv...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c8np00045j
更新日期:2018-12-12 00:00:00
abstract::This Highlight describes factors that contribute to an ideal synthesis, including economies (step, time, atom, solvent, energy) and orientations (target, diversity, safety, function), and the role of synthesis-informed design directed at function in advancing synthesis and its impact on science. ...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c4np00013g
更新日期:2014-04-01 00:00:00
abstract::Covering: up to September 2015. Meroterpenoids are hybrid natural products that partially originate from the terpenoid pathway. The meroterpenoids derived from fungi display quite diverse structures, with a wide range of biological properties. This review summarizes the molecular bases for their biosyntheses, which we...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c5np00090d
更新日期:2016-01-01 00:00:00
abstract::Silybin, a secondary metabolite isolated from the seeds of the blessed milk thistle (Silybum marianum) was discovered as the first member of a new family of natural compounds called flavonolignans in 1959. Over the years it has received the research attention of many organic chemists. This research has resulted in a n...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c3np70122k
更新日期:2014-09-01 00:00:00
abstract::Covering: up to February 2019Actinomycetes are Gram positive bacteria of the phylum Actinobacteria. These organisms are one of the most important sources of structurally diverse, clinically used antibiotics and other valuable bioactive products, as well as biotechnologically relevant enzymes. Most strains were discove...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c9np00029a
更新日期:2019-09-01 00:00:00
abstract::Although natural products have been marginalized by major pharmaceutical companies over the last 20-30 years, the changing landscape of drug discovery now favors a greatly enhanced role for Nature's privileged structures. Screening for drug leads in phenotypic screens provides the best opportunity to realize the value...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c1np00033k
更新日期:2011-10-01 00:00:00
abstract::In the search for new drugs and natural remedies, medicinal plants or herbs used in folk and traditional medicines are promising candidates. For the naturally rare and slowly growing plant species, plant tissue culture in bioreactors provides a cost-effective, sustainable and well-controlled means for mass production ...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b610767b
更新日期:2006-10-01 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/d0np00021c
更新日期:2020-07-16 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c3np70075e
更新日期:2014-04-01 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b303648k
更新日期:2003-12-01 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c3np70054b
更新日期:2014-01-01 00:00:00
abstract::This review will detail progress made in the previous decade on the chemistry and bioactivity of birch bark extractive products. Current and future applications of birch bark natural products in pharmaceuticals, cosmetics, and dietary supplements for the prevention and treatment of cancer, HIV,and other human pathogen...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b606816b
更新日期:2006-12-01 00:00:00
abstract::Contact chemosensation, or tasting, is a complex process governed by nonvolatile phytochemicals that tell host-seeking insects whether they should accept or reject a plant. During this process, insect gustatory receptors (GRs) contribute to deciphering a host plant's metabolic code. GRs recognise many different classe...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c7np00002b
更新日期:2017-05-10 00:00:00
abstract::The biosynthesis of peptidoglycan is essential for all bacteria and has no counterpart in eukaryotic cells. It is one of the prime targets for antibiotic chemotherapy, especially phospho-MurNAc-pentapeptide translocase (translocase I) is a fascinating target in which there is no commercial antibiotic. In this review w...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b202149h
更新日期:2003-04-01 00:00:00
abstract::This review covers the biosynthesis of aliphatic and aromatic polyketides as well as mixed polyketide/NRPS metabolites, and discusses the molecular genetics and enzymology of the proteins responsible for their formation. ...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b301028g
更新日期:2006-04-01 00:00:00
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journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c3np20111b
更新日期:2013-04-01 00:00:00
abstract::Covering: 2008 to 2016The total synthesis of natural products and their derivatives continues to inspire organic chemists to identify and test new synthetic strategies and develop and explore novel methodology. In recent years, visible light photoredox catalysis has risen to prominence as a powerful technology that en...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/c6np00070c
更新日期:2016-10-26 00:00:00
abstract::Venomous marine cone snails harbour a variety of small disulfide-rich peptides called conotoxins, which target a broad range of ion channels, membrane receptors, and transporters. More than 700 species of Conus are thought to exist, each expressing a wide array of different peptides. Within this large repertoire of to...
journal_title:Natural product reports
pub_type: 杂志文章,评审
doi:10.1039/b819311h
更新日期:2009-04-01 00:00:00