{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["14(31)"],"submitter":["Chemam Y"],"pubmed_abstract":["Seven components from the methanol extract of the aerial part of the endemic species <i>Helianthemum confertum</i> were isolated and identified for the first time. Investigating this species and its separated components chemical make-up and radical scavenging capacity, was the main goal. Using an online HPLC-ABTS˙<sup>+</sup> test, ORAC, and TEAC assays, the free radical scavenging capacity of the ethyl acetate extract was assessed. The fractionation of these extracts by CC, TLC, and reverse-phase HPLC was guided by the collected data, which was corroborated by TEAC and ORAC assays. Molecular docking studies, DFT at the B3LYP level, and an examination of the ADME/T predictions of all compounds helped to further clarify the phytochemicals' antioxidant potential. Isolation and identification"],"journal":["RSC advances"],"pagination":["22209-22228"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11247359"],"repository":["biostudies-literature"],"pubmed_title":["Phytochemical on-line screening and <i>in silico</i> study of <i>Helianthemum confertum</i>: antioxidant activity, DFT, MD simulation, ADME/T analysis, and xanthine oxidase binding."],"pmcid":["PMC11247359"],"pubmed_authors":["Benayache S","Bouzina A","Zhao M","Bentoumi H","Aouf NE","Bouslama Z","Marchioni E","Sekiou O","Benayache F","Chemam Y"],"additional_accession":[]},"is_claimable":false,"name":"Phytochemical on-line screening and <i>in silico</i> study of <i>Helianthemum confertum</i>: antioxidant activity, DFT, MD simulation, ADME/T analysis, and xanthine oxidase binding.","description":"Seven components from the methanol extract of the aerial part of the endemic species <i>Helianthemum confertum</i> were isolated and identified for the first time. Investigating this species and its separated components chemical make-up and radical scavenging capacity, was the main goal. Using an online HPLC-ABTS˙<sup>+</sup> test, ORAC, and TEAC assays, the free radical scavenging capacity of the ethyl acetate extract was assessed. The fractionation of these extracts by CC, TLC, and reverse-phase HPLC was guided by the collected data, which was corroborated by TEAC and ORAC assays. Molecular docking studies, DFT at the B3LYP level, and an examination of the ADME/T predictions of all compounds helped to further clarify the phytochemicals' antioxidant potential. Isolation and identification","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Jul","modification":"2026-06-01T19:32:08.774Z","creation":"2024-12-04T01:33:54.44Z"},"accession":"S-EPMC11247359","cross_references":{"pubmed":["39010907"],"doi":["10.1039/d4ra02540g"]}}