Mapping the Pathway and Dynamics of Bestatin Inhibition of the Plasmodium falciparum M1 Aminopeptidase PfA-M1.

Yang, Wei; Riley, Blake T; Lei, Xiangyun; Porebski, Benjamin T; Kass, Itamar; Buckle, Ashley M; McGowan, Sheena

Yang, Wei; Riley, Blake T; Lei, Xiangyun; Porebski, Benjamin T; Kass, Itamar; Buckle, Ashley M; McGowan, Sheena.

Afiliação

Yang W; Infection and Immunity Program, Department of Microbiology, Biomedicine Discovery Institute, Monash University, Clayton, VIC, 3800, Australia.
Riley BT; Infection and Immunity Program, Department of Biochemistry and Molecular Biology, Biomedicine Discovery Institute, Monash University, Clayton, VIC, 3800, Australia.
Lei X; School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA, USA.
Porebski BT; Infection and Immunity Program, Department of Biochemistry and Molecular Biology, Biomedicine Discovery Institute, Monash University, Clayton, VIC, 3800, Australia.
Kass I; Current address: Medical Research Council Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge, CB2â0QH, UK.
Buckle AM; Infection and Immunity Program, Department of Biochemistry and Molecular Biology, Biomedicine Discovery Institute, Monash University, Clayton, VIC, 3800, Australia.
McGowan S; Victorian Life Sciences Computation Centre, Monash University, Clayton, VIC, 3800, Australia.

ChemMedChem ; 13(23): 2504-2513, 2018 12 06.

Article em En | MEDLINE | ID: mdl-30318749

Assuntos

Aminopeptidases/antagonistas & inibidores; Antimaláricos/farmacologia; Inibidores Enzimáticos/farmacologia; Leucina/análogos & derivados; Plasmodium falciparum/enzimologia; Aminopeptidases/química; Aminopeptidases/metabolismo; Domínio Catalítico/efeitos dos fármacos; Descoberta de Drogas; Humanos; Leucina/farmacologia; Malária Falciparum/tratamento farmacológico; Malária Falciparum/parasitologia; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Plasmodium falciparum/química; Plasmodium falciparum/efeitos dos fármacos; Plasmodium falciparum/metabolismo; Ligação Proteica

Palavras-chave

M1 aminopeptidase; Markov models; bestatin; molecular dynamics; molecular mechanisms

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Plasmodium falciparum / Inibidores Enzimáticos / Aminopeptidases / Leucina / Antimaláricos Limite: Humans Idioma: En Revista: ChemMedChem Assunto da revista: FARMACOLOGIA / QUIMICA Ano de publicação: 2018 Tipo de documento: Article País de afiliação: Austrália

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google