Search results for "Pharmacological activity"
showing 3 items of 3 documents
Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays
2022
A method to identify molecular scaffolds potentially active against the Mycobacterium tuberculosis complex (MTBC) is developed. A set of structurally heterogeneous agents against MTBC was used to obtain a mathematical model based on topological descriptors. This model was statistically validated through a Leave-n-Out test. It successfully discriminated between active or inactive compounds over 86% in database sets. It was also useful to select new potential antituberculosis compounds in external databases. The selection of new substituted pyrimidines, pyrimidones and triazolo[1,5-a]pyrimidines was particularly interesting because these structures could provide new scaffolds in this field. T…
Crystal structure of hydrocortisone 17-butyrate
2014
In the title compound, C25H36O6, the two central cyclohexane rings exhibit a chair conformation. The terminal cyclohexene and cyclopentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substituent as the flap), respectively. The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6). Intramolecular O—H...O and C—H...O hydrogen bonds are observed. In the crystal, molecules are linked by O—H...O hydrogen bonds into chains running parallel to theaaxis.
Xanthium strumarium - a potential cheap resource of plant substances for medicinal use
2019
Xanthium strumarium L. (Asteraceae) is an annual herb which reproduces solely by seed. So far its centre of origin was considered Central or South America. Recent archeological research revealed that the burs of X. strumarium were used in Yuergou site (400-200 cal BC) in the Turpan Basin of northwestern China. This plant adventive to Europe reduces germination of various crops and behaves like and aggressive invasive species. X. strumarium is the most frequently recorded plant in the field borders between the crop land and adjacent territories the agricultural areas in Bulgaria. We aim of this study is to reveal the potential of X. strumarium as a cheap source of compounds with valuable pha…