Unravelling the Mechanism of Action of Myristica Sebifera 12c: Integrating Lc-Ms, in Silico Analysis, and in Vitro Assays

Abstract

Background: Medicinal plants are extensively used in traditional and complementary medicine to treat various human diseases. Microbes are currently the largest threat to mankind, causing 1.27 million global deaths in 2019 due to drug resistance. Myristica sebifera (MS), from the Myristicaceae family, is known for its antiseptic properties, inflammation, sepsis, and suppuration.Purpose: In-silico and in-vitro are lacking in homeopathy. This study was done to establish their mode of action in the human body.Study design: This study identified compounds in Myristica sebifera 12C (MS12C) using LC-MS, in silico and in vitro studies to explore its medicinal properties.Materials and methods: Phytoconstituents of MS12C were analysed using LC-MS, Cytoscape 3.10.2, webgestalt, PyRx Software for molecular docking, and validated through in vitro studies using egg albumin and antibiofilm assays.Results: The bioactive components, 7-methoxycoumarin, N-methyltryptamine, and dimethyltryptamine, were identified. Cytoscape and GO enrichment analysis suggested S1003, KDR, PTPRC, MPO, NOS2, MMP9, EGFR, and HTRIA as key targets. Molecular docking showed a strong binding affinity (>7.7 kcal/mol) against the Matrix metalloproteinase-9 (MMP9) protein gene. The in vitro egg albumin assay demonstrated 64.70% inhibition of protein denaturation. The Crystal violet assay shows, thinner biofilm layers than those in the controls and has highest inhibitory percentage (55.57%) at 30µl.Conclusion: MS12C acts on the MMP9 target gene, confirmed through in vitro studies by inhibiting protein denaturation and thin biofilm formation. Hence, MS12C, a potential therapeutic agent, has emerged as a natural MMP 9 inhibitor for various inflammatory, septic, and suppurative drug-resistant disorders.

Keywords: Myristica sebifera 12C, Inflammation, Sepsis, Suppuration, Molecular Docking, Gene Targets, Bio-film assay, Egg albumin assay