{"database":"GNPS","file_versions":[{"headers":{"Content-Type":["application/json"]},"body":{"files":{"Other":["ftp://massive-ftp.ucsd.edu/v05/MSV000091237/"]},"type":"primary"},"statusCode":"OK","statusCodeValue":200}],"scores":null,"additional":{"omics_type":["Metabolomics"],"submitter":["Dr. Jose Alberto Rivera Chavez"],"instrument_platform":["6530B Q-TOF LC/MS"],"species":["Scytalidium (ncbitaxon:5538)","Pestalotiopsis (ncbitaxon:37840)","Curvularia (ncbitaxon:5502)","Colletotrichum (ncbitaxon:5455)","Westerdykella (ncbitaxon:45153)","Scolecobasidium (ncbitaxon:37940)","Aspergillus (ncbitaxon:5052)","Diaporthe (ncbitaxon:36922)","Gelasinospora (ncbitaxon:29880)","Geosmithia <talaromyces> (ncbitaxon:39190)","Nigrospora (ncbitaxon:114230)","Trichoderma (ncbitaxon:5543)","Neopestalotiopsis Sp. (ncbitaxon:1849553)","Penicillium (ncbitaxon:5073)"],"full_dataset_link":["https://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=ebbde7a9007e43b59465fbe62e05eec5"],"submitter_affiliation":["Insituto de Quimica, UNAM"],"submitter_email":["jrivera@iquimica.unam.mx"],"sample_protocol":[""],"repository":["GNPS"],"file_size":["2,722"],"ptm_modification":["MS:1002864 - No post-translational-modifications are included in the identified peptides of this dataset"],"data_protocol":[""],"pubmed_abstract":["Natural product reisolation is a bottleneck when discovering new bioactive chemical entities from nature. To overcome this issue, multi-informative approaches integrating several layers of data have been applied with promising results. In this study, integration of taxonomy, nontargeted metabolomics, and bioactivity information resulted in the selection of <i>Scytalidium</i> sp. IQ-074 and <i>Diaporthe</i> sp. IQ-053 to isolate new natural products active against <i>h</i>PTP1B<sub>1-400</sub> and repurpose others as antibiotics. Strain IQ-074 was selected based on the hypothesis that investigating poorly studied and highly metabolic taxa could lead to the isolation of new chemical entities. A chemical investigation of IQ-074 resulted in the isolation of papyracillic acid A (<b>14</b>), 7-deoxypapyracillic acid A (<b>15a</b> and <b>15b</b>), and linear polyketides scytalpolyols A-D (<b>16</b>-<b>19</b>). Compound <b>17</b> inhibited <i>h</i>PTP1B<sub>1-400</sub> with a half-maximal inhibitory concentration of 27.0 ± 1.7 μM. <i>Diaporthe</i> sp. IQ-053 was selected based on its antibacterial properties against pathogenic strains. Its chemical investigation yielded dothiorelones A (<b>20</b>) and I (<b>21)</b>, cytosporones B (<b>22</b>) and C (<b>23</b>), pestalotiopsone B (<b>24</b>), and diaporthalasin (<b>25</b>). Compounds <b>22</b> and <b>25</b> inhibited the growth of <i>Staphylococcus aureus</i> and <i>Staphylococcus epidermidis</i> 42R and moderately inhibited the growth of <i>Acinetobacter baumannii</i> A564, a pandrug-resistant bacterium."],"pubmed_title":["Integrating Taxonomic and Chemical Diversity of Mangrove-Associated Ascomycetes to Discover or Repurpose Bioactive Natural Products."],"pubmed_authors":["Martínez-Aldino Ingrid Y IY, Rivera-Chávez José J, Morales-Jiménez Jesús J"],"additional_accession":[]},"is_claimable":false,"name":"GNPS-Untargeted metabolomics of mangrove fungi_Tamihua_Verazcruz_Mexico","description":"Untargeted metabolomics LC-MS/MS (positive mode) of fungal extracts obtained by an initial chloroform-methanol (1:1) extraction followed by water and hexane partitioned procedures of fungi grown on two different solid media; Cheerios cereal and rice.","dates":{"publication":"Thu Feb 09 16:13:00 GMT 2023"},"accession":"MSV000091237","cross_references":{"pubmed":["37875020"]}}