Fitoterapia, Journal Year: 2022, Volume and Issue: 165, P. 105406 - 105406
Published: Dec. 24, 2022
Language: Английский
Natural Product Reports, Journal Year: 2024, Volume and Issue: 41(2), P. 162 - 207
Published: Jan. 1, 2024
A comprehensive review of 1411 new MNPs and their structural diversity analysis including the cyanobacterial metabolite lezoside.
Language: Английский
Citations
71
Heliyon, Journal Year: 2024, Volume and Issue: 10(10), P. e31145 - e31145
Published: May 1, 2024
Nature possesses an inexhaustible reservoir of agents that could serve as alternatives to combat the growing threat antimicrobial resistance (AMR). While some most effective drugs for treating bacterial infections originate from natural sources, they have predominantly been derived fungal and species. However, a substantial body literature is available on promising antibacterial properties plant-derived compounds. In this comprehensive review, we address major challenges associated with discovery development compounds, which acted obstacles preventing their clinical use. These encompass limited sourcing, risk agent rediscovery, suboptimal drug metabolism, pharmacokinetics (DMPK) properties, well lack knowledge regarding molecular targets mechanisms action, among other pertinent issues. Our review underscores significance these implications in quest agents. Through critical examination current state research, give valuable insights will advance our understanding classes offering potential solutions global crisis AMR.© 2017 Elsevier Inc. All rights reserved.Graphical abstractThis focuses translational antibacterials offers suggestions potentially lead more antimicrobials.
Language: Английский
Citations
8
Nucleic Acids Research, Journal Year: 2024, Volume and Issue: 53(D1), P. D691 - D699
Published: Nov. 26, 2024
The Natural Products Atlas is a database of microbially derived natural products that contains structures, producing organism taxonomy, biosynthetic and chemical ontology classifications, grouping by compound classes cross-links to suite other product-related data resources. supported web server includes functionality browse the collection, search using both structures text/numerical terms visualize diversity it interactive dashboards. In current release, we have curated 1347 papers, increasing number compounds 36 545. addition, initiated large-scale effort incorporate from papers reporting structural reassignments revisions previously published structures. This led incorporation 590 corrections existing entries, significantly improving accuracy dataset. may be accessed at www.npatlas.org.
Language: Английский
Citations
5
The Journal of Physical Chemistry A, Journal Year: 2025, Volume and Issue: unknown
Published: Feb. 27, 2025
The extended tight binding (xTB) family of methods opened many new possibilities in the field computational chemistry. Within just 5 years, GFN2-xTB parametrization for all elements up to Z = 86 enabled more than a thousand applications, which were previously not feasible with other electronic structure methods. xTB provide robust and efficient way apply quantum mechanics-based approaches obtaining molecular geometries, computing free energy corrections or describing noncovalent interactions found applicability targets. A crucial contribution success is availability within simulation packages frameworks, supported by open source development its program library packages. We present comprehensive summary applications capabilities different fields Moreover, we consider main software calculations, covering their current ecosystem, novel features, usage scientific community.
Language: Английский
Citations
0
International Journal of Biological Macromolecules, Journal Year: 2025, Volume and Issue: unknown, P. 142636 - 142636
Published: March 1, 2025
Language: Английский
Citations
0
Analytical Chemistry, Journal Year: 2024, Volume and Issue: 96(14), P. 5399 - 5406
Published: March 25, 2024
Natural product discovery is hindered by the lack of tools that integrate untargeted nuclear magnetic resonance and mass spectrometry data on a library scale. This article describes first application innovative NMR/MS-based machine learning tool, "Structure-Oriented Fractions Screening Platform (SFSP)", enabling functional-group-guided fractionation accelerating characterization undescribed natural products. The concept was applied to extract marine fungus known be prolific producer diverse With assistance SFSP, we isolated 24 flavipidin derivatives five phenalenone analogues from Aspergillus sp. GE2-6, revealing 27 compounds. Compounds 7–22 were proposed as isomeric featuring 5/6-ring fusion, formed dimerization E (5). 23 envisaged with 6/5/6-ring generated through degradation two molecules. Furthermore, A (1) asperphenalenone (28) exhibited potent anti-influenza (PR8) activities, IC50 values 21.9 ± 0.2 12.9 0.1 μM, respectively. Meanwhile, (26) P (27) treatments significant inhibition HIV pseudovirus infection in 293FT cells, boasting 6.1 0.9 4.6 1.1 Overall, SFSP streamlines isolation NMR MS integration, showcased numerous flavipidins phenalenones based olefinic signals low-field hydroxy signals.
Language: Английский
Citations
3
Fitoterapia, Journal Year: 2024, Volume and Issue: 175, P. 105946 - 105946
Published: April 2, 2024
Language: Английский
Citations
1
Fitoterapia, Journal Year: 2022, Volume and Issue: 164, P. 105359 - 105359
Published: Nov. 21, 2022
Language: Английский
Citations
6
Progress in Organic Coatings, Journal Year: 2024, Volume and Issue: 198, P. 108906 - 108906
Published: Nov. 19, 2024
Language: Английский
Citations
0
Fitoterapia, Journal Year: 2022, Volume and Issue: 165, P. 105406 - 105406
Published: Dec. 24, 2022
Language: Английский
Citations
0