Electric Literature of 2682-49-7, Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics.In a document type is Article, and a compound is mentioned, 2682-49-7, Thiazolidin-2-one, introducing its new discovery.
Molecular docking, molecular dynamics, and in silico prediction of the toxic potential of primaquine thiazolidinone derivatives
Primaquine thiazolidinone derivatives are proposed as promising antimalarial candidates to be tested as primaquine substitutes. Molecular docking and dynamics simulations were applied in the analogues-NQO2 complexes to understand their interactions, and also studied the toxic potential of these derivatives in a set of 16 target proteins. The results of our study suggest that the interactions of five thiazolidinone primaquine derivatives with NQO2 are stronger than the interaction of primaquine and NQO2. The analogue 5n-protein complex seems to be the most stable compared with the primaquine-protein complex. The analogues 5n and 5o are predicted to be in the same class of toxic potential as primaquine. Their interactions with the cytochrome P450 enzymes are also predicted to be weaker, indicating that a better activity/toxicity balance compared with primaquine may be reached.
Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions.Electric Literature of 2682-49-7, you can also check out more blogs about2682-49-7
Reference：
Quinuclidine – Wikipedia,
Quinuclidine | C7H391N | ChemSpider