biostudies-literatureLe VTTMinistry of Education and TrainingThis research was funded by the Ministry of Education and Training under the Ministry of Sci-ence and Technology Project7253https://www.ebi.ac.uk/biostudies/studies/S-EPMC10650832biostudies-literatureUnknown28(21)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^-1, respectively, with median values of -8.83, -8.84, and -8.645 kcal mol^-1, 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^-1). 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^-1. For the target protein PDE4B, compound D50 exhibited thMolecules (Basel, Switzerland)Natural Phosphodiesterase-4 Inhibitors with Potential <i>Anti</i>-Inflammatory Activities from <i>Millettia dielsiana</i>.PMC10650832B2021-TNA-19Code: B2021-TNA-19Le VTTLe CHLam DTHa NXHung HVMinh PTHfalseNatural Phosphodiesterase-4 Inhibitors with Potential <i>Anti</i>-Inflammatory Activities from <i>Millettia dielsiana</i>.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^-1, respectively, with median values of -8.83, -8.84, and -8.645 kcal mol^-1, 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^-1). 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^-1. For the target protein PDE4B, compound D50 exhibited th2023-01-01T00:00:00Z2023 Oct2026-04-08T13:16:53.979Z2024-12-04T10:17:48.864ZS-EPMC106508323795967410.3390/molecules28217253