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The development of photoprotective products has been highly focused on natural ingredients, and exposure to ultraviolet (UV) radiation is also related to the production of reactive oxygen species (ROS), which are extremely damaging to tissues. Hymenaea martiana Hayne has flavonoids related to its pharmacological activities, but a flavonoid profile of this species has not been reported yet. In this context, this work aimed to perform high-performance liquid chromatography-mass spectrometry-electrospray ionization-ion trap (HPLC-MS-ESI-IT) to characterize the flavonoids from Hymenaea martiana bark extract and develop a cosmetic formulation with photoprotective action. Total phenolic compounds, total flavonoids, sun protection factor (SPF) and antioxidant activity of the crude extract were determined. An HPLC-ESI-IT profile of flavonoids was developed. Photoprotective gel formulations were developed with the extract of H. martiana. The highest content of phenolic compounds was found in the crude extract, followed by the ethyl acetate fraction. The total flavonoid content in the samples demonstrated that these are the major phenolic compounds. The crude extract showed significant antioxidant and photoprotective activity. A flavonoid profile was developed, and bioactive flavonoids reported in the species were identified. In the development of the formulations, it was evidenced that the addition of the crude extract to the chemical filter increased the antioxidant activity and FPS, suggesting a synergistic effect in the photoprotection. Formulation F4 was considered a promising product. These results show the cosmetic potential of Hymenaea martiana, thus justifying the development of a cosmetic formulation with photoprotective activity.

Cutaneous Leishmaniasis (CL) is a neglected disease characterized by highest morbidity rates worldwide. The available treatment for CL has several limitations including serious side effects and resistance to the treatment. Herein we aimed to evaluate the activity of essential oil from the peel of Myrciaria floribunda fruits (MfEO) on Leishmania amazonensis. The cytotoxic potential of MfEO on host mammalian cells was evaluated by MTT. The in vitro leishmanicidal effects of MfEO were investigated on the promastigote and intracellular amastigote forms. The ultrastructural changes induced by MfEO were evaluated by Scanning Electron Microscopy (SEM). The molecular docking of the major compounds δ-Cadinene, γ-Cadinene, γ-Muurolene, α-Selinene, α-Muurolene and (E)–Caryophyllene onto the enzymes trypanothione reductase (TreR) and sterol 14-alpha demethylase (C14DM) were performed. Our results showed that MfEO presented moderate cytotoxicity for Vero cells and macrophages. The MfEO inhibited the growth of promastigote and the survival of intracellular amastigotes, in a dose- and time- dependent way. The MfEO presented high selectivity towards amastigote forms, being 44.1 times more toxic for this form than to macrophages. Molecular docking analysis showed that the major compounds of MfEO interact with Leishmania enzymes and that δ-Cadinene (δ-CAD) presented favorable affinity energy values over TreR and C14DM enzymes, when compared with the other major constituents. Molecular dynamics (MD) simulation studies revealed a stable binding of δ-CAD with lowest binding free energy values in MMGBSA assay. Our results suggested that δ-CAD may be a potent inhibitor of TreR and C14DM enzymes. Communicated by Ramaswamy H. Sarma

Essential oils (EOs) are volatile compounds obtained from aromatic plants that can act as modulators of neurological systems. Several neurodegenerative diseases have been correlated with changes in the cholinergic system. Myrciaria floribunda (H. West ex Willd.) O. Berg (Myrtaceae) was chosen to investigate its biological potential for treating neurodegenerative diseases. M. floribunda fruit peel essential oil (MfEO) was collected for analysis. In this study, the chemical composition and in silico acetylcholinesterase inhibitory activities were determined. The results revealed the presence of 26 (96.86%) compounds obtained for GC/MS, of which the major compounds were the following: δ-Cadinene (26.8%), γ-Cadinene (15.69%), γ-Muurolene (6.21%), α-Selinene, α-Muurolene (6.11%) and (E)-Caryophyllene (5.54%). The ADMET analysis showed that MfEO compounds have a predicted lethal dose 628 times higher than neostigmine. The molecular docking results between the major components of MfEO and the enzyme acetylcholinesterase resulted in an average energy minimization of –6.6 Kcal/mol when the two structures coupled. In the assay of acetylcholinesterase activity, M. floribunda fruit peel oil presented an IC50 of 0.08 μg/ml and 23 μg/ml for commercial AChE of E. electricus and that extracted from C. rhizophorae, respectively. MfEO showed enzymatic inhibition and other relevant information of bioactive compounds. This study provides the first report of the chemical composition of the fruit peel essential oil of M. floribunda and highlights the promising results obtained through in silico analysis and the inhibitory potential of AChE through an in vitro assay.