The essential oil extracted from Anemia tomentosa (EOAT) has shown larvicidal potential against Aedes aegypti, based on methods in vitro and in silico. Chromatographic and spectrometric techniques (gas chromatography-mass spectrometry (CG-MS), gas chromatography-flame ionization detector (GC-FID)), as well as mono and bidimensional nuclear magnetic resonance spectroscopy (NMR) were used to assess 10 essential oil components. Chemical composition of essential oil comprised 87.51% sesquiterpenes, with emphasis on presilphiperfolan-1-ol (42.13%) and silphiperfol-5-ene (19.47%). Larvicidal assay conducted in vitro with EOAT has evidenced potential cytotoxic activity up to 48 h exposure to it; mortality rate observed for A. aegypti larvae exposed to essential oil reached 100%. Study conducted in silico with chemical compounds deriving from the herein investigated plant species has evidenced its potential to inhibit acetylcholinesterase in A. aegypti. Activity of triquinane sesquiterpenes ranging from -6.8 to -8.2 kcal mol-1 stood out in comparison to that of temephos (-7.5 kcal mol-1). Chemical compounds identified in the investigated essential oil presented low human and environmental toxicity, as observed in absorption, distribution, metabolism and excretion, and toxicity (ADMETox) predictions. (EOAT chromatographymass chromatography mass CGMS, CGMS CG MS , (CG-MS) chromatographyflame flame GCFID, GCFID GC FID (GC-FID)) NMR (NMR 1 components 8751 87 51 87.51 presilphiperfolan1ol presilphiperfolanol presilphiperfolan ol 42.13% 4213 42 13 (42.13% silphiperfol5ene silphiperfolene silphiperfol 5 ene 19.47%. 1947 19.47% . 19 47 (19.47%) 4 it A 100 100% 6.8 68 6 8 -6. 8.2 82 2 -8. mol1 mol mol- 7.5 75 7 (-7. mol1. mol-1) absorption distribution excretion ADMETox (ADMETox predictions (CG-MS (GC-FID) 875 87.5 42.13 421 (42.13 194 19.47 (19.47% 6. -6 8. -8 7. (-7 (GC-FID 87. 42.1 (42.1 19.4 (19.47 - (- 42. (42. 19. (19.4 ( (42 (19. (4 (19 (1

Bredemeyera Willd. is a genus of the Polygalaceae family, occurring in Brazil. This research aims to evaluate the phytochemical and antifungal potential, in vitro and in silico, of Bredemeyera brevifolia extracts. The identification of fatty acids by gas chromatography-mass spectrometry and their quantification by gas chromatography-flame ionization detector showed that palmitic (36.55 mg g−1), margaric (3.66 mg g−1), linolelaidic (108.82 mg g−1), oleic (7.86 mg g−1), stearic (41.11 mg g−1), dihomo-γ-linolenic (85.48 mg g−1), and arachidic (209.00 mg g−1) acids are present in the hexane extract. From the chloroform extract, 1-hydroxy-3,7-dimethoxyxanthone was isolated and identified. The minimum inhibitory concentration assay with methanolic extract demonstrated antifungal activity against species of the genus Candida, Sporothrix, and Trichophyton for up to 96 h, with values ranging from 64-1024 μg mL−1. The in silico study with the chemical compounds of this species showed fungal inhibition potential of sterol-14-α-demethylase, highlighting 1-hydroxy-3,7-dimethoxyxanthone, which presented an affinity energy of -8.8 kcal mol−1, greater than that observed for fluconazole (−8.3 kcal mol−1). The fatty acids interacted with the active site of the enzyme but presented energies ≥ −7.4 kcal mol−1. Compounds isolated from this species have pharmacokinetic potential for the development of pharmaceutical formulations. Willd family Brazil extracts chromatographymass chromatography mass chromatographyflame flame 36.55 3655 36 55 (36.5 g−1, g1 g g−1 , 1 3.66 366 3 66 (3.6 108.82 10882 108 82 (108.8 7.86 786 7 86 (7.8 41.11 4111 41 11 (41.1 dihomoγlinolenic dihomo γ linolenic 85.48 8548 85 48 (85.4 209.00 20900 209 00 (209.0 1hydroxy3,7dimethoxyxanthone 1hydroxy37dimethoxyxanthone hydroxydimethoxyxanthone hydroxy 3,7 dimethoxyxanthone identified Candida Sporothrix 9 h 641024 64 1024 64-102 mL1 mL mL−1 sterol14αdemethylase, sterol14αdemethylase sterolαdemethylase sterol 14 α demethylase, demethylase sterol-14-α-demethylase 1hydroxy3,7dimethoxyxanthone, dimethoxyxanthone, 8.8 88 8 -8. mol1 mol mol−1 −8.3 83 (−8. . mol−1) 74 4 −7. formulations 36.5 365 5 (36. g− 3.6 6 (3. 108.8 1088 10 (108. 7.8 78 (7. 41.1 411 (41. 85.4 854 (85. 209.0 2090 20 0 (209. 1hydroxy3 7dimethoxyxanthone 37 3, 64102 102 64-10 mL− αdemethylase 8. -8 mol− −8. (−8 −7 36. (36 3. (3 108. (108 7. (7 41. (41 85. (85 209. 2 (209 1hydroxy 6410 64-1 - −8 (− − ( (10 (4 (8 (20 641 64- (1 (2