2019
DOI: 10.1088/1742-6596/1341/2/022001
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In silico approach of antidiabetic compounds from Caesalpinia crista seed through docking analysis and ADMET predictions

Abstract: Caesalpinia crista (Fabaceae) is one of the herbs traditionally used as a drug for the diabetic. This study aimed to discover bioactivity of the α-caesalpin compound from Caesalpinia crista for antidiabetic based on reverse docking studies. Structures of chemical constituents of Caesalpina crista (α-caesalpin) was collected from published literature. The water molecule and ligands were removed by using PyMOL v1.7.4.5 Software (Schrödinger). Molecular docking experiments were performed using the PyRx 0.8 softwa… Show more

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