Despite rapid evolution in the area of microbial natural products chemistry, there is currently no open access database containing all microbially produced natural product structures. Lack of availability of these data is preventing the implementation of new technologies in natural products science. Specifically, development of new computational strategies for compound characterization and identification are being hampered by the lack of a comprehensive database of known compounds against which to compare experimental data. The creation of an open access, community-maintained database of microbial natural product structures would enable the development of new technologies in natural products discovery and improve the interoperability of existing natural products data resources. However, these data are spread unevenly throughout the historical scientific literature, including both journal articles and international patents. These documents have no standard format, are often not digitized as machine readable text, and are not publicly available. Further, none of these documents have associated structure files (e.g., MOL, InChI, or SMILES), instead containing images of structures. This makes extraction and formatting of relevant natural products data a formidable challenge. Using a combination of manual curation and automated data mining approaches we have created a database of microbial natural products (The Natural Products Atlas, ) that includes 24 594 compounds and contains referenced data for structure, compound names, source organisms, isolation references, total syntheses, and instances of structural reassignment. This database is accompanied by an interactive web portal that permits searching by structure, substructure, and physical properties. The Web site also provides mechanisms for visualizing natural products chemical space and dashboards for displaying author and discovery timeline data. These interactive tools offer a powerful knowledge base for natural products discovery with a central interface for structure and property-based searching and presents new viewpoints on structural diversity in natural products. The Natural Products Atlas has been developed under FAIR principles (Findable, Accessible, Interoperable, and Reusable) and is integrated with other emerging natural product databases, including the Minimum Information About a Biosynthetic Gene Cluster (MIBiG) repository, and the Global Natural Products Social Molecular Networking (GNPS) platform. It is designed as a community-supported resource to provide a central repository for known natural product structures from microorganisms and is the first comprehensive, open access resource of this type. It is expected that the Natural Products Atlas will enable the development of new natural products discovery modalities and accelerate the process of structural characterization for complex natural products libraries.
Within the natural products field there is an increasing emphasis on the study of compounds from microbial sources. This has been fuelled by interest in the central role that microorganisms play in mediating both interspecies interactions and host-microbe relationships. To support the study of natural products chemistry produced by microorganisms we released the Natural Products Atlas, a database of known microbial natural products structures, in 2019. This paper reports the release of a new version of the database which includes a full RESTful application programming interface (API), a new website framework, and an expanded database that includes 8128 new compounds, bringing the total to 32 552. In addition to these structural and content changes we have added full taxonomic descriptions for all microbial taxa and have added chemical ontology terms from both NP Classifier and ClassyFire. We have also performed manual curation to review all entries with incomplete configurational assignments and have integrated data from external resources, including CyanoMetDB. Finally, we have improved the user experience by updating the Overview dashboard and creating a dashboard for taxonomic origin. The database can be accessed via the new interactive website at https://www.npatlas.org.
The genus Burkholderia is an emerging source of novel natural products chemistry, yet to date few methods exist for the selective isolation of strains of this genus from the environment. More broadly, tools to efficiently design selection media for any given genus would be of significant value to the natural products and microbiology communities. Using a modification of the recently published SMART protocol, we have developed a two-stage isolation protocol for strains from the genus Burkholderia. This method uses a combination of selective agar isolation media and multiplexed PCR profiling to derive Burkholderia strains from environmental samples with 95% efficiency. Creation of this new method paves the way for the systematic exploration of natural products chemistry from this important genus and offers new insight into potential methods for selective isolation method development for other priority genera.
Among cereals, a special place is occupied by wheat as the main food of humanity and in improving the country's economy. The main task of breeding is to produce valuable wheat varieties that are stable to the unfavorable external environment of various natural climatic zones of Kazakhstan, consisting of a combination of valuable features. The prospects for the use of mutants in the process of hybridization are reflected in the achievements of world and domestic selection. The effect of various solutions of chemical compounds on the plant was observed from the first days during the growth of wheat sprouts. The growth of the first sprout of seeds treated with a certain solution of cadmium chloride and zinc chloride - 0.01%, the activity of cell division and structural disorders of chromosomes were manifested by variability in the varieties Kazakhstani3, Shagala, Zhenis and Lutescens 32. When treating dry wheat grain with a concentration of 0.1% cadmium chloride, it brought the growth of the Sprout to a lethal state, 0.01% inhibited the growth of the Sprout for 4 days, and in a 0.001% solution, the growth rate of the control grains was the same. On the contrary, a 0.1% vertical solution of zinc chloride inhibited the growth of the Sprout for 1 Week, 0.01% for three days. Among the studied concentrations, a 0.01% solution of cadmium chloride inhibited the growth of sprouts, causing chromosomal aberrations and morphological variability in cell division. Therefore, a concentration of 0.01% of cadmium salt was obtained as an optimal concentration to expand the limits of variability in wheat. In this regard, in our study, it was found that a 0.01% solution of cadmium chloride is an effective concentration that expands the limits of variability in wheat. The effect of this amount of solution leads to morphological changes in the plant (Binding of the stem, elongation of the earlobe, increase in the number and weight of grains in the headlobe, increase in the weight of 1000 grains, etc.), and changes in the characteristics of the M1 - M4 offspring are constantly inherited. Mutant lines L1, L2 and L3 differ in valuable breeding characteristics under the influence of a 0.01 percent solution of cadmium salt were obtained for the Kazakhstanskaya 3 and Shagala varieties. A genetic analysis of the type of development of these altered lines was carried out, as a result of which a long (16 cm) dense ear (0.80) changed from the Gull variety to a prismatic plant of the control variety (0.50), as a result of hybridization, its summer type (from the vrn gene) to the autumn type (Vrn gene). As a result of the study, Kazakhstanskaya 3, Kazakhstanskaya mutant 3 varieties contain the genes Vrn 1, Vrn 3. Well, it was found that Shagala varieties consist of the genes Vrnl, Vrn2. Varieties containing the genes Vrn1, Vrn3 show rapid maturation. However, they differed from each other in the period of intoxication.
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