Molecular Docking Data of Guava (Psidium guajava) Leaf-Derived Compounds Targeting Coagulation Factor IXa
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This dataset contains molecular docking results supporting the study titled “Docking-based computational analysis of guava (Psidium guajava) leaves derived bioactive compounds as a coagulation factor IXa inhibitor.” The data includes docking input and output files for selected bioactive compounds identified from guava leaf extracts. Using AutoDock Vina, the compounds were docked against a molecular model of coagulation factor IXa (CFIXa) to investigate their potential as anticoagulant agents. The docking scores, poses, and ligand–target interactions are provided. This resource is intended to support reproducibility and future exploration of natural product-based CFIXa inhibitors.
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Zenodo创建时间:
2025-07-03



