Antimalarial activity of 4-metoxychalcones: Docking studies as falcipain/plasmepsin inhibitors, ADMET and lipophilic efficiency analysis to identify a putative oral lead candidate

Molecules

Volumn 18, Issue 12, 2013, Pages 15276-15287

  De Oliveira, Michael Eder ^a   Cenzi, Gisele ^a   Nunes, Renata Rachide ^a   Andrighetti, Carla Regina ^b   De Sousa Valadao, Denia Mendes ^b   Dos Reis, Cláudia ^c   Simoes, Cláudia Maria Oliveira ^c   Nunes, Ricardo José ^c   Júnior, Moacyr Comar ^a   Taranto, Alex Gutterres ^a   Sanchez, Bruno Antonio Marinho ^b   Viana, Gustavo Henrique Ribeiro ^a   De Pilla Varotti, Fernando ^a  

^a Centro de Ciências da Saúde UFSJ Campus Centro Oeste   (Brazil)

^b Instituto de Ciências da Saúde UFMT Campus Sinop   (Brazil)

^c FEDERAL UNIVERSITY OF SANTA CATARINA   (Brazil)

Author keywords

4 methoxychalcone; ADMET properties; LipE; Malaria

Indexed keywords

ANTIMALARIAL AGENT; ASPARTIC PROTEINASE; CHALCONE; PLASMEPSIN II; PROTOZOAL PROTEIN;

ARTICLE; BINDING SITE; CHEMICAL PHENOMENA; CHEMISTRY; DRUG EFFECT; DRUG SENSITIVITY; HUMAN; IC 50; METABOLISM; MOLECULAR DOCKING; MOLECULAR WEIGHT; PLASMODIUM FALCIPARUM; PROTEIN BINDING; SYNTHESIS;

ANTIMALARIALS; ASPARTIC ACID ENDOPEPTIDASES; BINDING SITES; CHALCONE; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; INHIBITORY CONCENTRATION 50; MOLECULAR DOCKING SIMULATION; MOLECULAR WEIGHT; PARASITIC SENSITIVITY TESTS; PLASMODIUM FALCIPARUM; PROTEIN BINDING; PROTOZOAN PROTEINS;

EID: 84890900787     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules181215276     Document Type: Article

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