Novel coumarin-isatin hybrids as potent antileishmanial agents: Synthesis, in silico and in vitro evaluations was written by Khatoon, Saira;Aroosh, Aiman;Islam, Arshad;Kalsoom, Saima;Ahmad, Faisal;Hameed, Shahid;Abbasi, Sumra Wajid;Yasinzai, Masoom;Naseer, Muhammad Moazzam. And the article was included in Bioorganic Chemistry in 2021.Recommanded Product: Ethyl pyrazine-2-carboxylate This article mentions the following:
The synthesis, in silico, and in vitro evaluations of novel coumarin-incorporated isatin hydrazones I (R = C6H5, 4-pyridyl, pyrazin-2-yl, etc.; n = 0, 1) as highly potent and safe antileishmanial agents has been described. Mol. docking was initially carried out to decipher the binding confirmation of lead mols. towards the active cavity of the target protein (Leishmanolysin gp63) of Leishmania tropica. Among all the docked compounds, only I (R = 3-CH3C6H4, 4-H2NC6H4, 4-pyridyl; n = 0) showed high binding affinities due to a pattern of strong conventional hydrogen bonds and hydrophobic π-interactions. The mol. dynamics simulations showed the stable pattern of such bonding and structure-based confirmation with a time scale of 50 ns towards the top compound I (R = 4-pyridyl; n = 0) and protein. These analyses affirmed the high stability of the system. Three out of ten compounds evaluated for their antileishmanial activity against Leishmania tropica promastigotes and amastigotes were found to be active at micromolar concentrations (IC50 range 0.1-4.13μmol/L), and most importantly, they were also found to be highly biocompatible when screened for their toxicity in human erythrocytes. In the experiment, the researchers used many compounds, for example, Ethyl pyrazine-2-carboxylate (cas: 6924-68-1Recommanded Product: Ethyl pyrazine-2-carboxylate).
Ethyl pyrazine-2-carboxylate (cas: 6924-68-1) belongs to pyrazine derivatives. Pyrazine is a symmetrical molecule with point group D2h. Pyrazine is less basic than pyridine, pyridazine and pyrimidine. Pyrazines undergo nearly all of the same reactions as pyrimidines, from nucleophilic substitution (SNAr) to palladium-catalyzed cross coupling reactions.Recommanded Product: Ethyl pyrazine-2-carboxylate