FN Archimer Export Format PT J TI The antifungal potential of (Z)-ligustilide and the protective effect of eugenol demonstrated by a chemometric approach BT AF RODRIGUES, Alice M. S. EPARVIER, Veronique ODONNE, Guillaume AMUSANT, Nadine STIEN, Didier HOUEL, Emeline AS 1:1;2:2;3:3;4:4;5:1;6:5; FF 1:;2:;3:;4:;5:;6:; C1 Sorbonne Univ, CNRS, LBBM, Observ Oceanol, F-66650 Banyuls Sur Mer, France. Univ Paris Saclay, CNRS, Inst Chim Subst Nat, UPR2301, F-91198 Gif Sur Yvette, France. Univ Guyane, CNRS, IFREMER, LEEISA, F-97300 Cayenne, France. Univ Guyane, Univ Antilles, CNRS, CIRAD,UMR,EcoFoG,AgroParisTech,INRA, F-97300 Cayenne, France. Univ Guyane, Univ Antilles, CNRS, UMR,EcoFoG,AgroParisTech,Cirad,INRA, F-97300 Cayenne, France. C2 UNIV PARIS 06, FRANCE CNRS, FRANCE CNRS, FRANCE CIRAD, FRANCE CNRS, FRANCE UM LEEISA IN WOS Cotutelle UMR DOAJ copubli-france copubli-univ-france IF 3.998 TC 9 UR https://archimer.ifremer.fr/doc/00505/61647/65570.pdf https://archimer.ifremer.fr/doc/00505/61647/65571.pdf LA English DT Article AB Mankind is on the verge of a postantibiotic era. New concepts are needed in our battle to attenuate infectious diseases around the world and broad spectrum plant-inspired synergistic pharmaceutical preparations should find their place in the global fight against pathogenic microorganisms. To progress towards the discovery of potent antifungal agents against human pathologies, we embarked upon developing chemometric approach coupled with statistical design to unravel the origin of the anticandidal potential of a set of 66 essential oils (EOs). EOs were analyzed by GC-MS and tested against Candida albicans and C. parapsilosis (Minimal Inhibitory Concentration, MIC). An Orthogonal Partial Least Square (OPLS) analysis allowed us to identify six molecules presumably responsible for the anticandidal activity of the oils: (Z)-ligustilide, eugenol, eugenyl acetate, citral, thymol, and beta-citronellol. These compounds were combined following a full factorial experimental design approach in order to optimize the anticandidal activity and selectivity index (SI = IC50(MRC5 cells)/MIC) through reconstituted mixtures. (Z)-Ligustilide and citral were the most active compounds, while (Z)-ligustilide and eugenol were the two main factors that most contributed to the increase of the SI. These two terpenes can, therefore, be used to construct bioinspired synergistic anticandidal mixtures. PY 2019 PD JUL SO Scientific Reports SN 2045-2322 PU Nature Publishing Group VL 9 IS 8729 UT 000472029100008 DI 10.1038/s41598-019-45222-y ID 61647 ER EF