1200355-89-0Relevant academic research and scientific papers
Crystal Structure and 1H NMR Experimental and Theoretical Study of Conformers of 5-Methyl-1-(4’-methylphenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester and 5-Methyl-1-(phenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic A
Campos, Vinicius R.,Carneiro, Jose W. M.,Cunha, Anna Claudia,Ferreira, Vitor F.,Freitas, Maria C. R.,Lage, Mateus R.,Resende, Jackson A. L. C.,Silva, Haroldo C.,da Silva, Marcos M. P.,de Almeida, Wagner B.,de Souza, Leonardo A.
, p. 867 - 885 (2020/10/14)
We reported experimental and theoretical investigation of conformers of 1,2,3-triazole derivatives, substances of exclusively synthetic origin, subject of extensive studies, because of several biological properties, such as antiviral, antimicrobial and an
Synthesis, biological, and theoretical evaluations of new 1,2,3-triazoles against the hemolytic profile of the Lachesis muta snake venom
Campos, Vinícius R.,Abreu, Paula A.,Castro, Helena C.,Rodrigues, Carlos R.,Jord?o, Alessandro K.,Ferreira, Vitor F.,De Souza, Maria C. B. V.,Santos, Fernanda Da C.,Moura, Laura-A.,Domingos, Thaisa S.,Carvalho, Carla,Sanchez, Eládio F.,Fuly, André L.,Cunha, Anna C.
experimental part, p. 7429 - 7434 (2011/02/23)
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- 1H-[1,2,3]-triazole-4-carboxylic acid ethyl esters (8a-f) tested against the hemolytic profile of the L muta snake venom. Their structures were elucidated by one- and two-dimensional NMR techniques (1H, APT, HETCOR 1JCH and 11JCH,. n = 2, 3) and high-resolution electrospray ionization mass spectrometry. The series of triazole derivatives significantly neutralized the hemolysis induced by L. muta crude venom presenting a dose-dependent inhibitory profile (IC50- 30-83 μM) with 1-(4'chlorophenylsulfonylamino)-5-methyl-1 H-[1,2,3 ]-triazole-4-carboxylic acid ethyl ester (8e) being the most potent compound. The theoretical evaluation revealed the correlation of the antiophidian profile with the coefficient distribution and density map of the Highest Occupied Molecular Orbitals (HOMO) of these molecules. The elucidation of this new series may help on designing new and more efficient antiophidian molecules.
