<> "The repository administrator has not yet configured an RDF license."^^ . <> . . . "In silico prediction, molecular docking and simulation of natural flavonoid apigenin and xanthoangelol E against human metapneumovirus"^^ . "Human metapneumovirus (hMPV) is one of the potential pandemic pathogens, and it is a concern for elderly subjects and immunocompromised patients. There is no vaccine or specific antiviral available for hMPV. We conducted an in-silico study to predict initial antiviral candidates against human metapneumovirus. Our methodology included protein modeling, stability assessment, molecular docking, molecular simulation, analysis of non-covalent interactions, bioavailability, carcinogenicity, and pharmacokinetic profiling. We pinpointed four plant-derived bio-compounds as antiviral candidates. Among the compounds, apigenin showed the highest binding affinity, with values of − 8.0 kcal/mol for the hMPV-F protein and − 7.6 kcal/mol for the hMPV-N protein. Molecular dynamic simulations and further analyses confirmed that the protein-ligand docked complexes exhibited acceptable stability compared to two standard antiviral drugs. Additionally, these four compounds yielded satisfactory outcomes in bioavailability, drug-likeness, and ADME-Tox (absorption, distribution, metabolism, excretion, and toxicity) and STopTox analyses. This study highlights the potential of apigenin and xanthoangelol E as an initial antiviral candidate, underscoring the necessity for wet-lab evaluation, preclinical and clinical trials against human metapneumovirus infection."^^ . "2026-01" . . . "14" . "1" . . "In Silico Pharmacology"^^ . . . "21939616" . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . "Nazmul"^^ . "Sharif"^^ . "Nazmul Sharif"^^ . . "Shuvra Kanti"^^ . "Dey"^^ . "Shuvra Kanti Dey"^^ . . "Nadim"^^ . "Sharif"^^ . "Nadim Sharif"^^ . . "Wasifuddin"^^ . "Ahmed"^^ . "Wasifuddin Ahmed"^^ . . "Rubén"^^ . "Calderón Iglesias"^^ . "Rubén Calderón Iglesias"^^ . . "Hasan Huzayfa"^^ . "Rahaman"^^ . "Hasan Huzayfa Rahaman"^^ . . "Rista"^^ . "Majumder"^^ . "Rista Majumder"^^ . . "Isabel"^^ . "De la Torre Díez"^^ . "Isabel De la Torre Díez"^^ . . "Silvia"^^ . "Aparicio Obregón"^^ . "Silvia Aparicio Obregón"^^ . . "Afsana"^^ . "Khan"^^ . "Afsana Khan"^^ . . . . . . "In silico prediction, molecular docking and simulation of natural flavonoid apigenin and xanthoangelol E against human metapneumovirus (Texto)"^^ . . . "s40203-025-00539-7.pdf"^^ . . . "In silico prediction, molecular docking and simulation of natural flavonoid apigenin and xanthoangelol E against human metapneumovirus (Otro)"^^ . . . . . . "indexcodes.txt"^^ . . "HTML Summary of #26965 \n\nIn silico prediction, molecular docking and simulation of natural flavonoid apigenin and xanthoangelol E against human metapneumovirus\n\n" . "text/html" . . . "Biomedicine"@en . "Biomedicina"@es . .