Ligand Binding Studies of Caspase 3 Protein with Compounds of Bacopa monneri - A Target Protein Responsible for Alzheimer’s Disease (AD)

Abstract

Alzheimer’s disease (AD) is a type of dementia that causes problems with memory, thinking and behaviour. It has been discovered that APP (amyloid precursor protein) is a precusor molecule whose proteolysis generate amyloid ß (Aß) amino acid peptide. Aß is an amyloidogenic peptide that forms senile plaques found in the brains of AD. Evidence suggests that senile plaques are formed due to the activation of Caspases particulary caspases CASP 3 and CASP 4. Bacopa monneri has been in use since early as a brain tonic to enhance memory development, however how the components of Bacopa monneri function is yet unknown .In this paper an attempt has been made to establish the components activities insilico with CASP 3. We found that among the screened seven compounds Ligand 6 interacts potentially with CASP 3 and has passed all the properties of drug with drug likeliness 0.95, drug score 0.69 , highly soluble, highly permeable, non mutagenic, non tumerogenic and non irritant.