PubMed:34507178 JSONTXT 14 Projects

Biochemical evaluation and molecular docking assessment of glucosamines from Neocarya macrophylla fruits against Naja nigricollis venom. Two new glucosamines, Microphyllose A and B were isolated from the chloroform fraction of Neocarya macrophylla fruit using flash column chromatography. The structures of these compounds were elucidated based on chemical tests and the analysis of their spectral data (IR, 1D- & 2D-NMR). The compounds have demonstrated significant (p < 0.05) antivenom activity against Naja nigricollis venom with 60 and 80% protection, respectively. When subjected to molecular docking, the compounds have demonstrated different binding affinities against three toxins (phospholipase A2, neurotoxin and cardiotoxin) from Naja nigricollis venom and they were further screened for ADMET analysis based on Lipinski's and Veber's rule and the compounds have failed absorptivity for oral medications. To the best of our knowledge, this is the first report of isolation and molecular docking analysis of these compounds from medicinal plants.