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Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation.

Abstract：

:Aminobenzosuberone-based PfA-M1 inhibitors were explored as novel antimalarial agents against two different Plasmodium falciparum strains. The 4-phenyl derivative 7c exhibited the most encouraging growth inhibitory activity with IC50 values of 6.5-11.2 µM. X-ray crystal structures and early assessment of DMPK/ADME-Tox parameters allowed us to initiate structure-based drug design approach and understand the liabilities (such as potential metabolic and aqueous solubility issues) as well as identify the opportunities for improvement of this aminobenzosuberone series. It also suggested that compound 7c should be regarded as an attractive chemical tool to investigate the different biological roles of this multifunctional PfA-M1 protein.

journal_name

Bioorg Chem

journal_title

Bioorganic chemistry

authors

Salomon E,Schmitt M,Mouray E,McEwen AG,Bounaadja L,Torchy M,Poussin-Courmontagne P,Alavi S,Tarnus C,Cavarelli J,Florent I,Albrecht S

doi

10.1016/j.bioorg.2020.103750

subject

Has Abstract

pub_date

2020-05-01 00:00:00

pages

103750

eissn

0045-2068

issn

1090-2120

pii

S0045-2068(19)31402-6

journal_volume

98

pub_type

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