Comparative Molecular Docking Studies: Antifungal Activities of 1,4-Thiazine Derivatives

Sindhu T.J .
2017 Journal of Current Pharma Research  
The present study was designed to synthesise some novel derivatives of 1, 4-thiazines by using o-amino thiophenol with maleic anhydride. Further four Mannich bases were synthesised from 3oxo-3, 4-dihydro-2H-1, 4-benzothiazin-2-yl) acetic acid with sulpha drugs, ethanol and formaldehyde. Then synthesised Mannich bases were docked against Dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl) but-1-yn-1-yl] pyrimidine-2,4-diamine (UCP115A)using Argus Lab
more » ... oftware. The results indicate the Mannich base of 1, 4-thiazines (ligand binding energy varies from -8.9046kcal/mol to -12,0457kcal/mol) shows considerable antifungal activity against Candida albicans. Out of the five derivatives, E4 (Sulfamethoxazole substituted 1,4-thiazine)possess best ligand pose energy (-12.0414 kcal/mol) and two hydrogen bond. The study suggests that 1, 4-Thiazine derivatives shows potent antifungal activity.
doi:10.33786/jcpr.2017.v07i02.002 fatcat:gsgpmuxb55gzzbltgi3ob7m34y