Abstract
Synthesis, Spectroscopic Characterization, DFT Calculations and Preliminary Antifungal Activity of New Piperine Derivatives
Highlights
The rates of fungal resistance to drugs highlight an increasingly serious health problem and make it necessary to develop new therapeutic alternatives to treat these infections, since the options available today are mainly limited to azoles and echinocandins
The preliminary study on antifungal activity in vitro of compounds derived from piperine PC1-PC4 was evaluated by the microdilution method with 10 strains of pathogenic fungi divided into yeast (Candida albicans ATCC 76645, C. albicans LM-111, C. albicans LM-122, C tropicalis ATCC-13803, C. tropicalis LM-04, C. krusei LM-656, C. krusei LM-13) and filamentous fungi (T. rubrum LM-49, Microsporum canis LM-12, M. gypseum LM-512) using amphotericin B (0.034 μmol mL-1) as the standard drug
The geometries of the ground state and the electronic and nuclear magnetic resonance (NMR) spectroscopic properties of piperine derivatives were computed by using the B3LYP‐D3/6‐311+G(2d,p) and B3LYP/6-311+G(2d,p) methods
Summary
The rates of fungal resistance to drugs highlight an increasingly serious health problem and make it necessary to develop new therapeutic alternatives to treat these infections, since the options available today are mainly limited to azoles and echinocandins. Electronic properties The molecular electrostatic potential, frontier molecular orbitals (highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO)) and DFT chemical reactivity descriptors of the compounds were calculated from a single point by using the B3LYP/6‐311+G(2d,p) method.
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