IN SILICO THERAPEUTIC AND PHARMACOLOGICAL EVALUATION OF NOVEL APOLIPOPROTEIN E4 INHIBITORS AGAINST ALZHEIMER’S DISEASE

Abstract

Alzheimer disease is the most common form of dementia that develops with age with cognitive function loss. This affects the ability to think, behave, remember and even reasoning progressively. The aim of the study was to evaluate the potential phytochemical leads as drug candidate and inhibitors of protein target ApoE (PDB ID: 1B68). The phytochemicals with higher scores were appraised through filters, for oral bioavailability Lipinski's rule of five, cytotoxicity, mutagenicity and Absorption Distribution Metabolism and Excretion ADME for pharmacological and pharmacokinetic properties. The in silico evaluated non-mutagenic and nontoxic leads were Taxifolin followed by Luteolin with binding affinity of -7.6 and -7.4 Kcal\mol, molecular refractivity of 77.75 and 75.02, topological polar surface area 117.6 and 112.21 not passing blood brain barrier and LD50 2500 and 3821 mg/kg respectively. The potential natural compounds promisingly passes all the filters thus can be an efficient, biologically safe potential drug candidates against Alzheimer disease by blocking target protein ApoE.