Non-covalent interaction, adsorption characteristics and solvent effect of procainamide anti-arrhythmias drug on silver and gold loaded silica surfaces: SERS spectroscopy, density functional theory and molecular docking investigations
V. Vetrivelan, S. Sakthivel, S. Muthu, Abdulaziz A. Al‐Saadi
Abstract
The structural and electronic properties of the non-covalent interaction of procainamide (PA) anti-arrhythmias drug molecules on silver-loaded and gold-loaded silica nanostructures were explored using first-principle calculations.
Topics & Concepts
ChemistryAdsorptionDensity functional theoryCovalent bondSolventDrug deliveryvan der Waals forceHydrogen bondMoleculeComputational chemistryNanotechnologyPhysical chemistryOrganic chemistryMaterials scienceQuantum Dots Synthesis And PropertiesMolecular Junctions and NanostructuresCopper-based nanomaterials and applications