Search results for "medicinal"

1H-naphtho[2,1-b]thiete and 2H-naphtho[2,3-b]thiete- synthesis and reactivity

1994

Abstract The title compounds 4 and 8 are obtained by flash vacuum pyrolysis of the corresponding hydroxymethylthionaphthols 3 and 7. Whereas 4 shows a smooth ring opening on heating, 8 is thermally stable but reacts photochemically. The different behavior is explained on the basis of an MNDO calculation. The valence isomers 4′ and 8′ represent thioquinonemethides, which are highly reactive components in [12π + 2π]cycloaddition processes (4 → 9, 10, 11; 8 → 12).

[1,2,3]Triazoloazine/(Diazomethyl)azine Valence Tautomers from 5-Azinyltetrazoles

1978

[1,2,3]Triazoloazines are formed by thermolysis of 5-azinyltetrazoles in the gasphase or in solution. Thus, 5-(2-pyridyl)tetrazole (7) and 5-(2-pyrazinyl)tetrazole (11) yield [1,2,3]triazolo[1,5-a]pyridine (9) and [1,2,3]triazolo[1,5-a]pyrazine (13), respectively, at 400°/10−3 - 10−5 Torr. 5-(2-Phenyl-4-quinazolinyl)tetrazole (15) gives 5-phenyl[1,2,3]triazolo[1,5-c]quinazoline (17) in 75% yield by heating under reflux in mesitylene solution. 2-(Diazomethyl)pyridine (8), a valence tautomer of 9, can be trapped by fumaronitrile, leading to 3-(2-pyridyl)-1, 2-cyclopropanedicarbonitrile (19). The [1,2,3]triazoloazines undergo base catalysed H/D-exchange in D2O solution.

Medicinal Plants for Insomnia Related to Anxiety: An Updated Review.

2021

AbstractSleep disorders are common among the general population and can generate health problems such as insomnia and anxiety. In addition to standard drugs and psychological interventions, there are different complementary plant-based therapies used to treat insomnia and anxiety. This review aimed to find and examine the most recent research on the use of herbal medicines for treating anxiety and insomnia as compiled from clinical trials, as well as to assess the safety and efficacy of these medicines and to elucidate their possible mechanisms of action. The process entailed a search of PubMed, Scopus, and the Cochrane Library databases from 2010 to 2020. The search terms included “sleep d…

Synthesis, structural studies and reactivity of vanadium complexes with tridentate (OSO) ligand

2007

The direct reaction between [VCl(3)(thf)3] or [VO(OEt)3] and 2,2'-thiobis{4-(1,1,3,3-tetramethyl-butyl)phenol (tbopH(2)) leads to the formation of [V(2)(micro-tbop-kappa(3)O,S,O)2Cl(2)(CH(3)CN)(2)] (1).4CH(3)CN or [V(2)(micro-OEt)2(O)2(tbop-kappa(3)O,S,O)2] (2), respectively, in high yield. Compounds 1 and 2 were characterized by chemical and physical techniques including X-ray crystallography and variable temperature magnetic susceptibility studies (J = -29.1 cm(-1)) for 1. Complexes 1 and 2 were supported on MgCl2 and when activated with aluminium alkyls, were found to effectively polymerize ethene to produce polyethylene with a narrow molecular weight distribution M(w)/M(n) approximately…

Oxovanadium(V) complexes with tripodal bisphenolate and monophenolate ligands: Syntheses, structures and catalytic activities

2019

Abstract The reactions between [VO(acac)2] (acac– = acetylacetonate) and the tripodal amino bisphenols 6,6′-(((2-morpholinoethyl)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol) (H2L1) and 6,6′-(((thiophen-2-ylmethyl)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol) (H2L2) as well as the tetradentate amino phenol 2,2′-((3,5-di-tert-butyl-2-hydroxybenzyl)azanediyl)bis(ethan-1-ol) (H3L3) afford the complexes [VO(L1)(OMe)] (1), [VO(L2)(acac)] (2) and [VO(L3)] (3), correspondingly. Complexes 1 and 3 can also be prepared using VOSO4·xH2O or [VO(OPr)3] as vanadium precursors. When [VO(acac)2] or VOSO4·xH2O is used, mononuclear oxovanadium(V) complexes are formed upon oxidation of the met…

2019

Negative image-based (NIB) screening is a rigid molecular docking methodology that can also be employed in docking rescoring. During the NIB screening, a negative image is generated based on the target protein’s ligand-binding cavity by inverting its shape and electrostatics. The resulting NIB model is a drug-like entity or pseudo-ligand that is compared directly against ligand 3D conformers, as is done with a template compound in the ligand-based screening. This cavity-based rigid docking has been demonstrated to work with genuine drug targets in both benchmark testing and drug candidate/lead discovery. Firstly, the study explores in-depth the applicability of different ligand 3D conformer…

An approach to identify new antihypertensive agents using Thermolysin as model: In silico study based on QSARINS and docking

2019

Thermolysin is a bacterial proteolytic enzyme, considered by many authors as a pharmacological and biological model of other mammalian enzymes, with similar structural characteristics, such as angiotensin converting enzyme and neutral endopeptidase. Inhibitors of these enzymes are considered therapeutic targets for common diseases, such as hypertension and heart failure. In this report, a mathematical model of Multiple Linear Regression, for ordinary least squares, and genetic algorithm, for selection of variables, are developed and implemented in QSARINS software, with appropriate parameters for its fitting. The model is extensively validated according to OECD standards, so that its robust…

CheS-Mapper 2.0 for visual validation of (Q)SAR models

2014

Abstract Background Sound statistical validation is important to evaluate and compare the overall performance of (Q)SAR models. However, classical validation does not support the user in better understanding the properties of the model or the underlying data. Even though, a number of visualization tools for analyzing (Q)SAR information in small molecule datasets exist, integrated visualization methods that allow the investigation of model validation results are still lacking. Results We propose visual validation, as an approach for the graphical inspection of (Q)SAR model validation results. The approach applies the 3D viewer CheS-Mapper, an open-source application for the exploration of sm…

Chromatographic Profiles of the main Secondary Metabolites in the Monarda fistulosa L. Aerial Part

2021

Two different methods of chromatographic analysis have been used in this study for the phytochemical evaluation of main secondary metabolites in the aerial part of bee balm (Monarda fistulosa L.) as the non-officinal medicinal plant of the Lamiaceae Martinov family. The high performance thin layer chromatography (HPTLC) fingerprinting method was developed for the qualitative analyses of phenolic and non-polar compounds in the bee balm herb after its maceration in the solvents of different polarity. Such polyphenols as rosmarinic, caffeic and chlorogenic acids were authentically identified in the methanol extract of herb using HPTLC. Aromatic monoterpenoid thymol was identified by the HPTLC …

Preliminary study on analysis and removal of wax from a Carrara marble statue

2015

This preliminary study has mainly focused on the wax identification by nuclear magnetic resonance (NMR) and removal. Wax is used for many purposes in the field of art as protective coatings on wooden, stone or metal objects. From the comparison of the spectra H NMR and in particular with the correspondence of the resonance peaks of the samples taken from the statue and beeswax and paraffin, we can conclude that the wax applied on the statue surface is beeswax. From our data, it can be concluded that, to remove the beeswax, from any stone support, the more effective solvent is the mixture of cyclohexane/ethyl acetate. The removal percentages ranged from 19 to 99%. Lower percentages of remova…