《Discovery of Potent, Reversible, and Competitive Cruzain Inhibitors with Trypanocidal Activity: A Structure-Based Drug Design Approach》 was published in Journal of Chemical Information and Modeling in 2020. These research results belong to de Souza, Mariana L.; de Oliveira Rezende, Celso Junior; Ferreira, Rafaela S.; Espinoza Chavez, Rocio Marisol; Ferreira, Leonardo L. G.; Slafer, Brian W.; Magalhaes, Luma G.; Krogh, Renata; Oliva, Glaucius; Cruz, Fabio Cardoso; Dias, Luiz Carlos; Andricopulo, Adriano D.. Related Products of 626-02-8 The article mentions the following:
A virtual screening conducted with nearly 4,000,000 compounds from lead-like and fragment-like subsets enabled the identification of a small-mol. inhibitor I of the Trypanosoma cruzi cruzain enzyme, a validated drug target for Chagas disease. Subsequent comprehensive structure-based drug design and structure-activity relationship studies led to the discovery of carbamoyl imidazoles as potent, reversible, and competitive cruzain inhibitors. The most potent carbamoyl imidazole inhibitor II exhibited high affinity with a Ki value of 20 nM, presenting both in vitro and in vivo activity against T. cruzi. Furthermore, the most promising compounds reduced parasite burden in vivo and showed no toxicity at a dose of 100 mg/kg. These carbamoyl imidazoles are structurally attractive, nonpeptidic, and easy to prepare and synthetically modify. Finally, these results further advance our understanding of the noncovalent mode of inhibition of this pharmaceutically relevant enzyme, building strong foundations for drug discovery efforts. The experimental process involved the reaction of 3-Iodophenol(cas: 626-02-8Related Products of 626-02-8)
3-Iodophenol(cas: 626-02-8) belongs to organic iodides. The carbon-iodine bond is weaker than other carbon-halogen bonds due to the poor electronegative nature of the iodine atom. Related Products of 626-02-8 Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond.
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com