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dc.contributor.authorValdés-Jiménez, Alejandro
dc.contributor.authorPeña-Varas, Carlos
dc.contributor.authorBorrego-Muñoz, Paola
dc.contributor.authorArrué, Lily
dc.contributor.authorAlegría-Arcos, Melissa
dc.contributor.authorNour-Eldin, Hussam Hassan
dc.contributor.authorDreyer, Ingo
dc.contributor.authorNúñez-Vivanco, Gabriel
dc.contributor.authorRamírez, David
dc.date.accessioned2021-04-05T21:39:23Z
dc.date.available2021-04-05T21:39:23Z
dc.date.issued2021-02-20
dc.identifier10.3390/molecules26041124
dc.identifier.issn14203049
dc.identifier.urihttps://hdl.handle.net/20.500.12728/8766
dc.description.abstractPlants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant metabolite database aimed to categorize the diverse phytochemical space by providing 3D-structural information along with physicochemical and pharmaceutical properties of the most relevant natural products. PSC-db may be utilized, for example, in qualitative estimation of biological activities (Quantitative Structure-Activity Relationship, QSAR) or massive docking campaigns to identify new bioactive compounds, as well as potential binding sites in target proteins. PSC-db has been implemented using the open-source PostgreSQL database platform where all compounds with their complementary and calculated information (classification, redundant names, unique IDs, physicochemical properties, etc.) were hierarchically organized. The source organism for each compound, as well as its biological activities against protein targets, cell lines and different organism were also included. PSC-db is freely available for public use and is hosted at the Universidad de Talca.es_ES
dc.language.isoenes_ES
dc.publisherNLM (Medline)es_ES
dc.subject3D-structureses_ES
dc.subjectchemical and structural propertieses_ES
dc.subjectdatabasees_ES
dc.subjectnatural productses_ES
dc.subjectphysicochemical and pharmaceutical descriptorses_ES
dc.subjectplant secondary metaboliteses_ES
dc.titlePSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compoundses_ES
dc.typeArticlees_ES


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