{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Le VTT"],"funding":["Ministry of Education and Training","This research was funded by the Ministry of Education and Training under the Ministry of Sci-ence and Technology Project"],"pagination":["7253"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10650832"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["28(21)"],"pubmed_abstract":["The results of in silico screening of the 50 isolated compounds from <i>Millettia dielsiana</i> against the target proteins PDE4 (PDE4A, PDE4B, and PDE4D) showed binding affinity ranges from -5.81 to -11.56, -5.27 to -13.01, and -5.80 to -12.12 kcal mol<sup>-1</sup>, respectively, with median values of -8.83, -8.84, and -8.645 kcal mol<sup>-1</sup>, respectively. Among these compounds, Millesianin F was identified as the most promising PDE4A inhibitor due to its strongest binding affinity with the target protein PDE4A. (-11.56 kcal mol<sup>-1</sup>). This was followed by the compound 5,7,4'-trihydroxyisoflavone 7-<i>O-β</i>-d-apiofuranosyl-(1→6)-β-d-glucopyranoside (D50) with the binding affinity value of -11.35 kcal mol<sup>-1</sup>. For the target protein PDE4B, compound D50 exhibited th"],"journal":["Molecules (Basel, Switzerland)"],"pubmed_title":["Natural Phosphodiesterase-4 Inhibitors with Potential <i>Anti</i>-Inflammatory Activities from <i>Millettia dielsiana</i>."],"pmcid":["PMC10650832"],"funding_grant_id":["B2021-TNA-19","Code: B2021-TNA-19"],"pubmed_authors":["Le VTT","Le CH","Lam DT","Ha NX","Hung HV","Minh PTH"],"additional_accession":[]},"is_claimable":false,"name":"Natural Phosphodiesterase-4 Inhibitors with Potential <i>Anti</i>-Inflammatory Activities from <i>Millettia dielsiana</i>.","description":"The results of in silico screening of the 50 isolated compounds from <i>Millettia dielsiana</i> against the target proteins PDE4 (PDE4A, PDE4B, and PDE4D) showed binding affinity ranges from -5.81 to -11.56, -5.27 to -13.01, and -5.80 to -12.12 kcal mol<sup>-1</sup>, respectively, with median values of -8.83, -8.84, and -8.645 kcal mol<sup>-1</sup>, respectively. Among these compounds, Millesianin F was identified as the most promising PDE4A inhibitor due to its strongest binding affinity with the target protein PDE4A. (-11.56 kcal mol<sup>-1</sup>). This was followed by the compound 5,7,4'-trihydroxyisoflavone 7-<i>O-β</i>-d-apiofuranosyl-(1→6)-β-d-glucopyranoside (D50) with the binding affinity value of -11.35 kcal mol<sup>-1</sup>. For the target protein PDE4B, compound D50 exhibited th","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Oct","modification":"2026-04-08T13:16:53.979Z","creation":"2024-12-04T10:17:48.864Z"},"accession":"S-EPMC10650832","cross_references":{"pubmed":["37959674"],"doi":["10.3390/molecules28217253"]}}