In 2020 J CHEM INF MODEL published article about CHAGAS-DISEASE; CYSTEINE PROTEASE; LIGAND EFFICIENCY; DOCKING; LEADS; STRAINS in [de Souza, Mariana L.; Ferreira, Leonardo L. G.; Magalhaes, Luma G.; Krogh, Renata; Oliva, Glaucius; Andricopulo, Adriano D.] Univ Sao Paulo, Phys Inst Sao Carlos, Lab Med & Computat Chem, BR-13563120 Sao Carlos, SP, Brazil; [Rezende Junior, Celso de Oliveira; Espinoza Chavez, Rocio Marisol; Slafer, Brian W.; Dias, Luiz Carlos] Univ Estadual Campinas, Inst Chem, BR-13084971 Campinas, SP, Brazil; [Ferreira, Rafaela S.] Univ Fed Minas Gerais, Dept Biochem & Immunol, BR-31270901 Belo Horizonte, MG, Brazil; [Cruz, Fabio Cardoso] Univ Fed Sao Paulo, Dept Pharmacol, BR-04023062 Sao Paulo, SP, Brazil in 2020, Cited 38. The Name is m-Methoxyphenol. Through research, I have a further understanding and discovery of 150-19-6. Recommanded Product: 150-19-6
A virtual screening conducted with nearly 4 000 000 compounds from lead-like and fragment-like subsets enabled the identification of a small-molecule inhibitor (1) 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 (45) exhibited high affinity with a K-i 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.
Welcome to talk about 150-19-6, If you have any questions, you can contact de Souza, ML; Rezende , CD; Ferreira, RS; Chavez, RME; Ferreira, LLG; Slafer, BW; Magalhaes, LG; Krogh, R; Oliva, G; Cruz, FC; Dias, LC; Andricopulo, AD or send Email.. Recommanded Product: 150-19-6
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles