IN SILICO STUDIES FOR ANTIDIABETIC POTENTIAL OF PHYTOCONSTITUENTS ON ZIZIPHUS JUJUBE LEAVES AGAINST HUMAN GLUCOKINASE AND ALPHA AMYLASE

This research aim to evaluate the inhibitory potentials of saponins, flavonoids, and alkaloids in Ziziphus jujube via in-silico models targeting receptors, (human glucokinase, and alpha-amylase). Standard drugs were docked against the target proteins (human glucokinase and alpha amylase) using Pyrx software, and pharmacokinetic and pharmacodynamics were determined using ADMETSAR2 and SWISSADMET respectively. Binding affinity was determined also using Pyrx software. Binding mode and molecular interaction were determined using Pymol software. The result values obtained for Ziziphus jujube leaves, ADMET are adsorption and distribution [blood brain barrier(-0.7500),human instestine absorption(-0.63), water solubility(-3.497), calcium carbonate(0.91)], metabolism [2C19(NO),2C9(NO), 1A4(NO)3D6(NO), 1A2(NO), Excretion [Biodegradation(NO) And Toxicity [ames mutation(NO),eye irritation(NO), eye corrosion (NO), acute oral toxicity (III), carcinogenicity(NO), and hepatoxicity(NO)] of pharmacodynamic. For pharmacokinetic which shows [ heavy atom ( 16) molecular weight (432.28), R05 violation (1), hydrogen bond donor(6),hydrogen bond acceptor(4), mlop(0.674)] and binding affinity of wogonin (-8.3kcal/mol) and binding mole of molecular interaction are [ Asp 85, Asn 76, Thr 151, Met 205] (-6.8kcal/mol) are located in the active site of enzymatic activity of wogonin(-7.2kcal/mol) which is potential inhibitor of alpha-amylase which exhibited high binding affinity and stable interaction with the target receptor and wogonin(-7.2kcal/mol) for potential inhibitor for alpha amylase and human glucokinase which exhibited high binding affinity and interaction with target receptor. This investigation suggest that these ligands should be studied further for the design of therapeutic agent against diabetes.