Fate of Jeratinine E as a potential compound to target NNMT protein in countering Parkinson’s disease

Parkinson’s disease (PD), the second-most common neurological condition, is expected to increase in prevalence during the following 30 years. Parkinson’s disease diagnosis is still challenging, and research is ongoing to define the condition’s early stages. Parkinson’s disease might be an autointoxication-related illness. A requirement for neurotoxicity in the human brain is the enzyme nicotinamide Nmethyltransferase (NNMT), as charged compounds cannot cross the blood-brain barrier. Additionally, the parkinsonian brain exhibits it in elevated concentration. A significant shift in perspective on primary and secondary prevention. The GEO dataset makes medical records and gene expression data on persons with PD accessible in order to anticipate patient mortality and, ultimately, establish PD biomarkers. We performed analysis through functional enrichment and proteinprotein interaction (PPI). The GDC information gateway was utilized in this research to evaluate connected genes with clinical information to identify the most important PD genes. We found differential expression genes to separate the genes with varying levels of expression between the mutant and normal groups (DEGs). Additionally, we evaluated their importance in PD using the GDC Data site. Jeratinine E, an alkaloid, might be considered as a treatment option. Molecular docking study was carried out to have a better knowledge of the chemical reactions between the compounds that are bioactive and the NNMT protein. The molecular docking research indicates that Jeratinine E has a greater selectivity for NNMT. The ADMET analysis also highlighted the ability for additional study of jeratinine E.