"Emerging COVID- 19 Coronavirus and its Interaction and Simulation With N-(Glycine) and N-(Alanine) -Para Styrene Sulfonamide as New Drugs and Compare with Sulphadiazine, Sulfacetamide and Sulfathiazole"

Abstract

Emerging COVID- 19 Coronavirus and its Interaction and Simulation With N-(Glycine) and N-(Alanine) -Para Styrene Sulfonamide as New Drugs and Compare with Sulphadiazine, Sulfacetamide and Sulfathiazole. Biomed A new and modern method for investigation of covid-19 has been reported. In this study, simulation between coronavirus with the synthesized compounds as new drugs such as N-(glycine)-para styrene sulfonamide (GSS) and N-(alanine) - Para-styrene sulfonamide (ASS) was performed and compared with sulphadiazine (SDA), sulfacetamide (SAC), and sulfathiazole (STZ) as common drugs. Molecular docking has recently been used as a tool to gain insight into ligand–receptor interaction and display molecules for the binding affinities against a special receptor. Molecular docking calculations were performed on Auto Dock-Vina software. The 3D crystal structure of employed SARS-CoV spike glycoprotein (7ACD) as Covid-19 and receptor were obtained from Protein Data Bank. The empirical free energy and the Lamarckian Genetic Algorithm was applied for molecular docking 7ACDwith GSS and ASS as anti-infection agents was used for molecular docking simulation. In addition, these interactions were compared with sulphadiazine, sulfacetamide, and sulfathiazole modeling. That is shown biological properties of these new sulfonamides similar to sulphadiazine, sulfacetamide, and sulfathiazole.