RESUMEN
This scientific work presents practical and theoretical material on the methods of analysis and identification of betulin and its key derivatives. The properties of betulin and its derivatives, which are determined by the structural features of this class of compounds and their tendency to form dimers, polymorphism and isomerization, are considered. This article outlines ways to improve not only the bioavailability but also the solubility of triterpenoids, as well as any hydrophobic drug substances, through chemical transformations by introducing various functional groups, such as carboxyl, hydroxyl, amino, phosphate/phosphonate and carbonyl. The authors of this article summarized the physicochemical characteristics of betulin and its compounds, systematized the literature data on IR and NMR spectroscopy and gave the melting temperatures of key acids and aldehydes based on betulin.
RESUMEN
The interaction results of 1,2-dibromo-3-isothiocyanatopropane with some pyrazoles as well as cytisine and salsoline alkaloids were presented in this paper. It was shown that the reaction resulted in one one-step and rather mild method for the preparation of the corresponding 1,3-thiazoline bromomethyl derivatives. The yield of this reaction was affected by the presence of a base and an order in which reagents were added. Molecular docking of the synthesized 1,3-thiazoline derivatives for putative antibacterial activity was carried out using the penicillin-binding target protein (PBP4) of the bacteria E. coli "Homo sapiens" and S. aureus "Homo sapiens" as an example. Molecular docking demonstrated that the compounds had insignificant binding energies at the level of selected reference drugs (Cephalotin and Chloramphenicol). The presence of natural alkaloids in the structure of thiazoline derivatives somewhat increased the affinity of these substrates for target proteins selected.
Asunto(s)
Alcaloides , Alcaloides de Salsolina , Simulación del Acoplamiento Molecular , Staphylococcus aureus , Escherichia coli , Alcaloides/farmacología , Relación Estructura-Actividad , Estructura MolecularRESUMEN
This article has studied the synthesis of a new derivative of the known alkaloid cytisine contained in the seeds of plants of Cytisus laburnum L. and Thermopsis lanceolata R.Br., both of the Lugiminosae family. The new compound has been obtained from two biologically active compounds, such as isoxazole and cytisine. It has been demonstrated that the reaction led to the single-stage method under very mild conditions to obtain 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cytisine. This class of compounds is promising for obtaining the new biologically active compounds. This article has examined, in detail, a structure with using the 1H and 13C NMR and two-dimensional NMR spectroscopy of COSY (1H-1H), HMQC (1H-13C) and HMBC (1H-13C). As a result, the homo- and heteronuclear spin-spin couplings should be established. The X-ray diffraction analysis has determined the spatial structure of a new derivative based on the cytisine alkaloid. Thus, its hemorheological activity has been studied.