Prediction of Chalcone from Anting-Anting (Acalypha indica L.) for Feruloyl Esterase Inhibitor as Penyakit Alzheimer
Prediksi Kalkon dari Anting-Anting (Acalypha indica L.) untuk Inhibitor Feruloyl Esterase sebagai Penyakit Alzheimer
Keywords:
alzheimer, feruloyl esterase, chalcone, acalypha indica l.Abstract
Alzheimer's disease is a neurodegenerative disorder characterized by beta-amyloid plaque accumulation, hyperphosphorylation of tau protein, and oxidative stress, leading to progressive cognitive impairment. Feruloyl esterase (FAE) is known to have a role in the inflammatory process and oxidative stress in Alzheimer's, so inhibition of this enzyme is a potential strategy in therapeutic development. This study aims to predict the potential of chalcone compounds from Anting-Anting (Acalypha indica L.) as FAE inhibitors using an in silico approach. The structure of chalcone compound was obtained from PubChem database in SMILES format and analyzed using Prediction of Activity Spectra for Substances (PASS) platform in Way2Drug. The prediction results showed that chalcone has an activity probability (Pa) of 0.950 and an inactivity probability (Pi) of 0.002 towards FAE, indicating a high affinity as an inhibitor. The high Pa value indicates a high probability that chalcone can interact with FAE and inhibit its activity, while the low Pi value indicates a low probability that this compound is inactive against its target. Chalcone is known to have antioxidant and anti-inflammatory activities that may support neuroprotective mechanisms in Alzheimer's.
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