PREDICTION OF BIOLOGICAL ACTIVITIES OF A. SQUAMOSA BIOACTIVE COMPOUNDS BY-SILICO DESIGN

Abstract

Annona squamosa L. belongs to the Annonaceae family and is one of the basic dietary plants with edible fruits and is called "custard apple. The aim of our study was to carry out to PASS Predication investigate potential Prediction of Activity Spectra for phytoconstituents from Alpinia calcarata namely Acetogenins, Isoquinoline, Quercetin 3 Oglucoside, phenanthrene and Anoreticuin towards many deasease. Server based in silico pass prediction of the compounds was performed. Selected phytochemicals were also analyzed for ADME/T properties using the ADMET protocol. Among a wide range of predicting Acetogenins, Isoquinoline, Quercetin-3-O-glucoside, Phenanthrene and Annoreticuin are effective against fungal pathogens of CYP2H substrates and inhibitors of membrane permeability (0.66 less than Pa greater than 0.90) activity and this can be supported by ADMET properties of these compounds. So Acetogenins have good absorbability, especially in human intestinal absorption. Isoquinoline and norepinephrine are kinase inhibitors, while the high molecular weight compounds phenanthrene and norepinephrine have a low GI absorption distribution across the blood-brain barrier (BBB) and central nervous system. Also the results from ADME/T properties ensured the compounds safe for human.