Search results for " Medicinal"

MD Simulation Investigation on the Binding Process of Smoke-Derived Germination Stimulants to Its Receptor

2019

Karrikins (KARs) are a class of smoke-derived seed germination stimulants with great significance in both agriculture and plant biology. By means of direct binding to the receptor protein KAI2, the compounds can initiate the KAR signal transduction pathway, hence triggering germination of the dormant seeds in the soil. In the research, several molecular dynamics (MD) simulation techniques were properly integrated to investigate the binding process of KAR1 to KAI2 and reveal the details of the whole binding event. The calculated binding free energy, -7.00 kcal/mol, is in good agreement with the experimental measurement, -6.83 kcal/mol. The obtained PMF profile indicates the existence of thre…

Lanostanoids from Fungi as Potential Medicinal Agents

2015

Immunostimulatory Potential of Natural Compounds and Extracts: A Review

2020

The proper functioning of human immune system is essential for organism survival against infectious, toxic and oncogenic agents. The present study aimed to describe the scientific evidence regarding the immunomodulatory properties of the main micronutrients and specific phytochemicals. Plants of food interest have the ability to dynamically affect the immune system through particular molecules. Plant species, type of compounds and biological effects were herein reviewed mainly focusing on plants which are not commonly used in food supplements. Several efficient phytoproducts showed significant advantages compared to synthetic immunomodulators, being good candidates for the development of i…

Thorough evaluation of OECD principles in modelling of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine derivatives using QSARINS.

2020

The human immunodeficiency virus is a lethal pathology considered as a worldwide problem. The search for new strategies for the treatment of this disease continues to be a great challenge in the scientific community. In this study, a series of 107 derivatives of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine, previously evaluated experimentally against HIV-I reverse transcriptase, was used to model antiretroviral activity. A model of linear regression, implemented in the QSARINS software, was developed with a genetic algorithm for variable selection. The fit of its parameters was good and exhaustive validation, according to the OECD regulatory principles, was performed. Also, the applica…

Pharmacophore-Based Design of New Chemical Scaffolds as Translational Readthrough-Inducing Drugs (TRIDs)

2020

[Image: see text] Translational readthrough-inducing drugs (TRIDs) rescue the functional full-length protein expression in genetic diseases, such as cystic fibrosis, caused by premature termination codons (PTCs). Small molecules have been developed as TRIDs to trick the ribosomal machinery during recognition of the PTC. Herein we report a computational study to identify new TRID scaffolds. A pharmacophore approach was carried out on compounds that showed readthrough activity. The pharmacophore model applied to screen different libraries containing more than 87000 compounds identified four hit-compounds presenting scaffolds with diversity from the oxadiazole lead. These compounds have been s…

Montanacin-L and montanacin-K two previously non-described acetogenins from Annona montana twigs and leaves

2020

A phytochemical study on Annona montana twigs and leaves led to the isolation of eleven annonaceous acetogenins, including two previously non-described compounds, montanacin-L and montanacin-K. Their structures were elucidated by extensive analyses of spectroscopic data (IR, UV, HRTOFMS, EI-MS and 1H, 13C and 2D NMR). The ACGs montanacin-L, montanacin-K, montanacin-D and montanacin-E were evaluated for their toxicity against Spodoptera frugiperda Smith (Lepidoptera: Noctuidae). Results revealed that montanacin-D and montanacin-K exhibited insecticide action. Fil: Ruiz Hidalgo, José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán; …

Herbicidal value of essential oils from oregano-like flavour species

2017

ABSTRACTChemical composition and phytotoxicity of oregano, marjoram and Thymus mastichina essential oils against Portulaca oleracea L., Lolium multiflorum Lam. and Echinochloa crus-galli (L.) Beauv. has been investigated. Seventy-seven compounds reaching 97.3% and 99.4% were identified by gas chromatography–mass spectrometry. Carvacrol (60.42 ± 0.07%), p-cymene (15.52 ± 0.02%) and γ-terpinene (5.19 ± 0.02%) were the main compounds in oregano essential oil, whereas large amounts of 1,8-cineol (59.59 ± 0.85%, 49.49 ± 0.37%), linalool (13.05 ± 0.04%, 5.66 ± 0.01%) and α-terpineol (3.36 ± 0.10%, 5.59 ± 0.01%), followed by β-pinene (4.35 ± 0.39, 5.54 ± 0.01%) and α-pinene (4.11 ± 0.53, 4.28 ± 0.…

A new polyketide from the bark of Hypericum roeperianum Schimp. (Hypericaceae)

2019

The isolation and spectroscopic data of a hitherto undescribed polyketide (1) from Hypericum roeperianum Schimp. (Hypericaceae) together with six known compounds (2–7) is herein reported. The struc...

The Use of Medicinal Clay from Silesia “Terra sigillata Silesiaca”, Central Europe - A New Chance for Natural Medicine?

2019

Silesia is a region in Central Europe with beneficial conditions for the presence of clay, including those with potential therapeutic efficacies, due to its very diverse and mosaic geological landscape. The first use of clay deposits in medicine in Silesia, “terra sigillata Silesiaca”, has been dated to 1550 AD, and the oldest written information related to this use has been dated to 1586 AD. Medicinal clay is formed by the accumulation of a mixture of minerals such as smectite, bentonite, montmorillonite, kaolinite, illite, and metahaloisite, with impurities of other minerals and fractions, resulting from the chemical weathering of rocks and the sedimentation of detritus. The quantitative …

Chemodiversity of the Essential Oil from Leaves of Abies nebrodensis (Lojac.) Mattei

2016

Abies nebrodensis (Lojac.) Mattei (Pinaceae) is a species occurring in a very small population only in a restricted area of Sicily. Its taxonomic classification as different species has been object of discussion. In this work the chemical composition of the essential oil from the leaves is presented for the first time and compared to the essential oils from other euroasiatic species reported in literature. Peculiar characteristics of the essential oil of A. nebrodensis are highlighted.