The in silico study aimed to suggest phytochemicals from Commiphora leptophloeos leaves essential oil as therapies against coronavirus disease (COVID-19) (or severe acute respiratory syndrome coronavirus 2, SARS-CoV-2). For that, we used molecular docking (MD), absorption, distribution, metabolism, excretion, and toxicity (ADMET) parameters, and pharmacokinetic analysis. MD showed the presence of hydrophobic and hydrogen bonds for nine compounds. β-Selinene and bicyclogermacrene showed the best interaction values with the protein Mpro (ID: 6Y2F) (-5.9) and chimeric receptor complexed with its receptor human ACE2 (ID: 6VW1) (-6.1 and -5.5) proteins, as well as low gastrointestinal and high epithelial absorptions, medium permeability for Caco-2 cells and high epithelial permeability, low oral excretion, and were inhibitors of CYP2C19 and CYP2C9 enzymes. On the other hand, both were not permeable to the blood-brain barrier and inhibitors or substrates for glycoprotein-D, and showed carcinogenic potential, but only β-selinene was considered mutagenic. Although little bioavailable, both presented aspects structurally adequate, being compounds with moderate synthesis difficulty. Therefore, more analyses are necessary to evaluate the mechanism of action and unsatisfactory parameters foreseen in bioinformatic assays. COVID19 COVID 19 (COVID-19 2 SARSCoV2. SARSCoV2 SARSCoV SARS CoV . SARS-CoV-2) that MD, , (MD) absorption distribution metabolism excretion ADMET (ADMET analysis βSelinene β Selinene ID (ID 6Y2F YF Y F 5.9 59 5 9 (-5.9 ACE 6VW1 VW 6.1 61 6 1 (-6. 5.5 55 -5.5 proteins absorptions Caco2 Caco Caco- CYPC CYP C CYP2C1 CYP2C enzymes hand bloodbrain blood brain glycoproteinD, glycoproteinD glycoprotein D, D glycoprotein-D potential βselinene selinene mutagenic bioavailable adequate difficulty Therefore assays COVID1 (COVID-1 SARS-CoV-2 (MD 5. (-5. 6VW 6. (-6 -5. (COVID- SARS-CoV- (-5 (- -5 (COVID SARS-CoV ( -

Um método baseado na técnica de dispersão da matriz em fase sólida foi desenvolvido para determinar resíduos de ametrina, tetraconazol, flumetralina, tebuconazol, pirimetanil, diclofuanida e cresoxim-metílico na planta medicinal desidratada Hyptis pectinata (sambacaitá) por cromatografia a gás acoplada a espectrometria de massas. Diferentes parâmetros foram avaliados, tais como: tipo (C18, alumina neutra, sílica gel e Florisil) e quantidades de sorvente e solvente de eluição (diclorometano, acetato de etila e diclorometano:acetato de etila (1:1, v/v)), sendo que o mais adequado foi o procedimento com 0,5 g de planta medicinal, 0,5 g de C18 como sorvente e diclorometano (20 mL) como solvente de eluição. O método foi validado com amostras de planta medicinal fortificadas com agrotóxicos em diferentes níveis de concentração (0,05-1,0 µg g-1). Recuperações médias (n = 4) variaram de 83 a 127%, com coeficientes de variação entre 4 e 15%. Os limites de detecção (LOD) variaram entre 0,02 e 0,07 µg g-1, enquanto que os limites de quantificação (LOQ), entre 0,05 e 0,1 µg g-1.

A method was developed using matrix solid-phase dispersion (MSPD), together with gas chromatography coupled to mass spectrometry (GC-MS) for determination of ametryn, tetraconazole, flumetralin, tebuconazole, pyrimethanil, dichlofluanid and kresoxim-methyl in dehydrated Hyptis pectinata (sambacaitá) medicinal plant material. The evaluated parameters included the type and amount of sorbent (C18, neutral alumina, silica gel and Florisil) and the nature of the eluent (dichloromethane, ethyl acetate and dichloromethane:ethyl acetate (1:1, v/v)). The best results were obtained using 0.5 g of plant material, 0.5 g of C18 as sorbent and dichloromethane (20 mL) as the eluting solvent. The method was validated using plant samples spiked with pesticides at different concentration levels (0.05-1.0 µg g-1). Average recoveries (using four replicates) ranged from 83 to 127%, with relative standard deviations between 4 and 15%. Limits of detection (LOD) and quantification (LOQ) were in the ranges 0.02-0.07 µg g-1 and 0.05-0.1 µg g-1, respectively.