An Antioxidant Potential, Quantum-Chemical and Molecular Docking Study of the Major Chemical Constituents Present in the Leaves of Curatella americana Linn

Reactive oxygen species (ROS) are continuously generated in the normal biological systems, primarily by enzymes as xanthine oxidase (XO). The inappropriate scavenging or inhibition of ROS has been considered to be linked with aging, inflammatory disorders, and chronic diseases. Therefore, many plants and their products have been investigated as natural antioxidants for their potential use in preventive medicine. The leaves and bark extracts of Curatella americana Linn. were described in scientific research as anti-inflammatory, vasodilator, anti-ulcerogenic, and hypolipidemic effects. So, the aim of this study was to evaluate the antioxidant potentials of leaf hydroalcoholic extract from C. americana (HECA) through the scavenging DPPH assay and their main chemical constituents, evaluated by the following quantum chemical approaches (DFT B3LYP/6-31G**): Maps of Molecular Electrostatic Potential (MEP), Frontier Orbital’s (HOMO and LUMO) followed by multivariate analysis and molecular docking simulations with the xanthine oxidase enzyme. The hydroalcoholic extract showed significant antioxidant activity by free radical scavenging probably due to the great presence of flavonoids, which were grouped in the PCA and HCA analysis with the standard gallic acid. In the molecular docking study, the compounds studied presented the binding free energy (ΔG) values close each other, due to the similar interactions with amino acids residues at the activity site. The descriptors Gap and softness were important to characterize the molecules with antioxidant potential by capturing oxygen radicals

Chemical profiling of Curatella americana Linn leaves by UPLC-HRMS and its wound healing activity in mice.

Based on ethnopharmacological studies, a lot of plants, as well as its compounds, have been investigated for the potential use as wound healing agents. In Brazil, Curatella americana is traditionally used by local people to treat wounds, ulcers and inflammations. However, to the best of our knowledge, its traditional use in the treatment of wounds has not been validated by a scientific study. Here, some compounds, many of them flavonoids, were identified in the hydroethanolic extract from the leaves of C. americana (HECA) by LC-HRMS and LC-MS/MS. Besides that, solutions containing different concentrations of HECA and a gel produced with this extract were evaluated for its antimicrobial, coagulant and wound healing activities on an excision mouse wound model as well as its acute dermal safety. A total of thirteen compounds were identified in HECA, mainly quercetin, kaempferol and glucoside derivatives of both, besides catechin and epicatechin known as wound healing agents. The group treated with 1% of HECA exhibited highest wound healing activity and best rate of wound contraction confirmed by histopathology results. The present study provides scientific evidence of, this extract (HECA) possess remarkable wound healing activity, thereby, supporting the traditional use

Antiophidian activity of Brosimum guianense (aubl) Huber

International audienceSnakebites envenomations are a problem public health in worldwide due to the high rates of morbidity and mortality. The Bothrops venom causes local tissue damage and inflammation is one of the most important events that occur. At present, effective treatment for snakebites is serum therapy with antivenom, which neutralizes systemic alterations but does not prevent local damage that can cause disabilities. Many plants are used in popular medicine to treat these accidents but few attempts have been made to investigate the scientific validity of these assertions. In Amazon region, indigenous and local people use the macerated bark of Brosimum guinanensis applied in the form of cataplasm, on the site of snakebite. This study aimed to analyze the ability of the Brosimum guianensis aqueous extract in the neutralization several effects induced by Bothrops atrox snake venom to investigate the scientific validity of folk medicine informations by means of controlled experiments. Our results showed that Brosimum guianensis aqueous extract was not effective to inhibit oedema, peritonitis, coagulant, myotoxic, phospholipase A2 activity (indirect hemolytic method) induced by B. atrox venom, but was able to inhibited significantly hemorrhagic and nociceptive activities. These results support a potential effect of this extract as a compounds source for biotechonological application and synthesis of new drugs with therapeutic purpose