Exploring the Activity Profile of TbrPDEB1 and hPDE4 Inhibitors Using Free Energy Perturbation
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DOI: 10.1021/acsmedchemlett.1c00690
Abstract: Human African trypanosomiasis (HAT) is a neglected tropical disease caused by the parasite Trypanosoma brucei (T.b.). A validated target for the treatment of HAT is the parasitic T.b. cyclic nucleotide phosphodiesterase B1 (TbrPDEB1). Although nanomolar… read more here.
Keywords: energy perturbation; tbrpdeb1 inhibitors; free energy; tbrpdeb1 ... See more keywords