In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-021-00420-7
Abstract: Falcipain-2 (FP-2) is a Plasmodium falciparum hemoglobinase widely targeted in the search for antimalarials. FP-2 can be allosterically modulated by various noncompetitive inhibitors that have been serendipitously identified. Moreover, the crystal structures of two inhibitors… read more here.
Keywords: noncompetitive inhibitors; silico identification; site; falcipain ... See more keywords
Microsecond-long simulation reveals the molecular mechanism for the dual inhibition of falcipain-2 and falcipain-3 by antimalarial lead compounds
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2022.1070080
Abstract: The latest world malaria report revealed that human deaths caused by malaria are currently on the rise and presently stood at over 627,000 per year. In addition, more than 240 million people have the infection… read more here.
Keywords: quinolinyl oxamide; development; oxamide derivative; carboxamide derivative ... See more keywords