On December 31, 2020, Holanda, Vanderlan Nogueira; Vicente da Silva, Welson; Henrique do Nascimento, Pedro; Silva, Sergio Ruschi Bergamachi; Cabral Filho, Paulo Euzebio; Assis, Shalom Porto de Oliveira; Augusto da Silva, Cesar; Nascimento de Oliveira, Ronaldo; Queiroz de Figueiredo, Regina Celia Bressan; Lima, Vera Lucia de Menezes published an article.SDS of cas: 574-98-1 The title of the article was Antileishmanial activity of 4-phenyl-1-[2-(phthalimido-2-yl)ethyl]-1H-1,2,3-triazole (PT4) derivative on Leishmania amazonensis and Leishmania braziliensis: In silico ADMET, in vitro activity, docking and molecular dynamic simulations. And the article contained the following:
Organic compounds obtained by click chem. reactions have demonstrated a broad spectrum of biol. activities being widely applied for the development of mols. against pathogens of medical and veterinary importance. Cutaneous leishmaniasis (CL), caused by intracellular protozoa parasite of genus Leishmania, comprises a complex of clin. manifestations that affect the skin and mucous membranes. The available drugs for the treatment are toxic and costly, with long periods of treatment, and the emergence of resistant strains has been reported. In this study we investigated the in vitro effects of a phthalimide-1,2,3-triazole derivative, the 4-Phenyl-1-[2-(phthalimido-2-yl)ethyl]-1H-1,2,3-triazole (PT4) obtained by click chem., on mammalian cells and on L. amazonensis and L. braziliensis, the causative agents of CL in Brazil. In silico ADMET evaluation of PT4 showed that this mol. has good pharmacokinetic properties with no violation of Lipinski’s rules. The in vitro assays showed that PT4 was more selective for both Leishmania species than to mammalian cells. This compound also presented low cytotoxicity to mammalian cells with CC50 > 500μM. Treatment of promastigote forms with different concentrations of PT4 resulted in ultrastructural alterations, such as plasma membrane wrinkling, shortening of cell body, increased cell volume and cell rupture. The mol. dynamic simulations showed that PT4 interacts with Lanosterol 14 α-demethylase from Leishmania, an essential enzyme of lipid synthesis pathway in this parasite. Our results demonstrated PT4 was effective against both species of Leishmania. PT4 caused a decrease of mitochondrial membrane potential and increased production of reactive oxygen species, which may lead to parasite death. Taken together, our results pointed PT4 as promissing therapeutic agent against CL. The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).SDS of cas: 574-98-1
The Article related to leishmaniasis chemotherapy pthalimide click chem leishmania, 1,2,3-triazole, chemotherapy, click chemistry, leishmaniasis, phthalimide, Pharmacology: Effects Of Antimicrobials and Parasiticides and other aspects.SDS of cas: 574-98-1
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