{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["22(9)"],"submitter":["Arciniegas A"],"pubmed_abstract":["The chemical analysis of the melliferous plant Viguiera dentata (Asteraceae) yielded cycloartanes 1-9 (including the new compounds 7-9), ent-kaurenes (10-15), diversifolin (16) and other constituents. The structure of 9 was confirmed by X-ray analysis. To evaluate the insecticidal potential of its constituents, in silico pesticide-likeness calculations for structures 1-16 were performed indicating no violations of the Tice rules. Tests for activity against acetylcholinesterase revealed that only cycloartanes 1 (78.85 µM) and 6 (53.54 µM) inhibited the enzyme. Molecular docking analysis showed interactions between compounds 1, 10, and 13, with Y337, a key amino acid in the catalytic site. A bioassay against Spodoptera frugiperda revealed that compounds 1, 2, 9, 10, and 13 displayed activity"],"journal":["Chemistry & biodiversity"],"pagination":["e202500917"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12435401"],"repository":["biostudies-literature"],"pubmed_title":["New Terpenoids from Viguiera dentata: In Silico Pesticide-Likeness Properties, Acetylcholinesterase Inhibition, Molecular Docking, and Evaluation against Spodoptera frugiperda."],"pmcid":["PMC12435401"],"pubmed_authors":["Nieto-Camacho A","Figueroa-Brito R","Hernandez-Ortega S","Castaneda-Espinoza JD","Perez-Valera O","Villasenor JL","Delgado G","Arciniegas A","Valencia I"],"additional_accession":[]},"is_claimable":false,"name":"New Terpenoids from Viguiera dentata: In Silico Pesticide-Likeness Properties, Acetylcholinesterase Inhibition, Molecular Docking, and Evaluation against Spodoptera frugiperda.","description":"The chemical analysis of the melliferous plant Viguiera dentata (Asteraceae) yielded cycloartanes 1-9 (including the new compounds 7-9), ent-kaurenes (10-15), diversifolin (16) and other constituents. The structure of 9 was confirmed by X-ray analysis. To evaluate the insecticidal potential of its constituents, in silico pesticide-likeness calculations for structures 1-16 were performed indicating no violations of the Tice rules. Tests for activity against acetylcholinesterase revealed that only cycloartanes 1 (78.85 µM) and 6 (53.54 µM) inhibited the enzyme. Molecular docking analysis showed interactions between compounds 1, 10, and 13, with Y337, a key amino acid in the catalytic site. A bioassay against Spodoptera frugiperda revealed that compounds 1, 2, 9, 10, and 13 displayed activity","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-06-01T15:45:38.869Z","creation":"2026-04-08T13:47:14.855Z"},"accession":"S-EPMC12435401","cross_references":{"pubmed":["40286337"],"doi":["10.1002/cbdv.202500917"]}}