作者: Leah M. Wachsmuth , Meredith G. Johnson , Jason Gavenonis
DOI: 10.1371/JOURNAL.PNTD.0005720
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摘要: Parasitic diseases caused by kinetoplastid parasites of the genera Trypanosoma and Leishmania are an urgent public health crisis in developing world. These closely related species possess a number multimeric enzymes highly conserved pathways involved vital functions, such as redox homeostasis nucleotide synthesis. Computational alanine scanning these protein-protein interfaces has revealed host potentially ligandable sites on several established emerging anti-parasitic drug targets. Analysis with multiple clustered hotspots suggested inhibitable interactions that may have been overlooked previous large-scale analyses focusing solely secondary structure. provide promising lead for development new peptide macrocycle inhibitors enzymes.