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The folk medicinal plant Knema angustifolia (Roxb.) Warb. of Myristicaceae is reported with the essential oil (0.02±0.001 - 0.04±0.01%) in leaves and twigs respectively, for the first time. The GC-MS analysis of essential oil found 15 oxygenated sesquiterpenes viz., Globulol (30.83-35.46%), Spathulenol (21.46-23.98%), Viridiflorol (6.24-12.40%) and others. Several species under the family Myristicaceae had been used in neurodegenerative diseases. The site-specific docking of the markers against tau protein, the major causal factor for neurodegenerative diseases were carried out which found biomarkers viz., α-Cadinol, δ-Cadinol, epi-Cubenol, Neointermedeol, Shyobunol, and τ-Cadinol with moderate to high binding affinity (-5.1 to -6.2 Kcal/mol). The markers followed ADMET parameters including Human Intestinal Absorption, Blood Brain Barrier, CNS permeability, and Lipinski rule of five, and were found as …