Synthesis, biological, and theoretical evaluations of new 1,2,3-triazoles against the hemolytic profile of the Lachesis muta snake venom

摘要: Abstract The current treatment used against envenomation by Lachesis muta venom still presents several side effects. This paper describes the synthesis, pharmacological and theoretical evaluations of new 1-arylsulfonylamino-5-methyl-1 H -[1,2,3]-triazole-4-carboxylic acid ethyl esters ( 8a – f) tested hemolytic profile L. snake venom. Their structures were elucidated one- two-dimensional NMR techniques 1 H, APT, HETCOR J CH n ,  = 2, 3) high-resolution electrospray ionization mass spectrometry. series triazole derivatives significantly neutralized hemolysis induced crude presenting a dose-dependent inhibitory (IC 50  = 30−83 μM) with 1-(4′-chlorophenylsulfonylamino)-5-methyl-1 ester (8e) being most potent compound. evaluation revealed correlation antiophidian coefficient distribution density map Highest Occupied Molecular Orbitals (HOMO) these molecules. elucidation this may help on designing more efficient