New cycloartane-type triterpenes from Marcetia latifolia (Melastomataceae) and in silico studies on Candida parapsilosis protease.
We have previously reported the antimicrobial activity of the ethyl acetate extract of Marcetia latifolia, particularly against Candida parapsilosis. In this work we describe the isolation of two new cycloartane-type triterpenes, 28,29-bis-norcycloartan-3beta,4alpha-diol (1) and 28,29-bis-norcycloart-24-en-3beta,4alpha-diol (2) from the same extract. These compounds were mainly characterized by one- (1H, 13C and APT) and two-dimensional (1H-1H-COSY, 1H-1H-NOESY, HMQC and HMBC) NMR spectroscopy, mass spectrometry and comparison with published structural data. In addition, the activity of triterpenes 1 and 2 on the Candida protease target was investigated by in silico methods using molecular docking.
Departamento de Saúde, Universidade Estadual de Feira de Santana, Campus Universitário, Av. Transnordestina, s/n(o), Bairro Novo Horizonte, 44.036-900 Feira de Santana, Bahia, Brazil.
Tonny C C
TC
Leite
Franco H A
FH
Leite
Ivo J C
IJ
Vieira
Raimundo
R
Braz Filho
Alexsandro
A
Branco
D000935:Antifungal Agents / Q000737:chemistry / Q000302:isolation & purification* / Q000494:pharmacology; D002175:Candida / Q000201:enzymology; D005656:Fungal Proteins / Q000037:antagonists & inhibitors; D035322:Melastomataceae / Q000737:chemistry*; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D011480:Protease Inhibitors / Q000737:chemistry / Q000302:isolation & purification* / Q000494:pharmacology; D014315:Triterpenes / Q000737:chemistry / Q000302:isolation & purification* / Q000494:pharmacology
D000935:Antifungal Agents; D005656:Fungal Proteins; D011480:Protease Inhibitors; D014315:Triterpenes