<i>In silico</i> analysis of <i>Chlorophytum borivilianum</i> phytocompounds as a multi-targeted directed ligand (MTDL) against type 2 diabetes mellitus-induced Alzheimer’s disease

Alzheimer’s disease (AD) is a multi-factorial neurodegenerative disorder. A crosstalk between AD and hyperglycaemia has been observed where patients showed increased insulin resistance. Type 2 diabetes mellitus and its features, including hyperinsulinemia and chronic hyperglycaemia with an inflammatory response, are related to AD through insulin resistance. Here, aim was to identify a phytocompound that could be used as a potential drug candidate. GC-MS analysis of <i>Chlorophytum borivilianum</i> root extract provided a phytocompound library, of which 10 phytocompounds were selected for docking. Protein targets, namely acetylcholinesterase, butrylcholinesterase, Amyloid-β protein, BACE-1, N-methyl-D-aspartate, GSK-3β, APAF-1 and caspase-3, were used for docking. Based on pharmacokinetic and ADMET analysis, 25-Homo-24-Ketocholesterol, showed the lowest binding affinity with the targets, justified Lipinski’s rule of 5, had high potency, good absorption and was less toxic to the human body. We conclude that 25-homo-24-ketocholesterol may act as a potential drug with multi-target directed ligand activity.