Pharmacophore Modeling and Docking Studies of SNCA Receptor with Some Active Phytocompounds from Selected Ayurvedic Medicinal Plants Known for their CNS Activity

摘要

Neurodegeneration is an alarming problem all over the globe. The significant role of SNCA receptor has been well established in several neurodegenerative disorders including various types of progressive dementia-most commonly in Parkinson's disorder (PD) and Lewy body dementia. Phytocompounds selected from ayurvedic medicinal plants are thoroughly screened against the SNCA receptor (in silico). The gene receptor responsible for Parkinson's disorder (PD), SNCA, was taken for this work. Mutated mammalian SNCA implicated as one of the factors responsible for PD was taken from NCBI; templates as retrieved from BLAST were downloaded from PDB. The 3D structure of SNCA was modeled; the 3D structures of phytocompounds (unknown ligands) were taken from various online databases; phytocompounds were virtually screened against the SNCA receptor, and the best ligand was selected.