Search results for " Pharmaceutic"
showing 10 items of 865 documents
A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Rec…
2016
Molecular dynamics (MD) simulations can be used, prior to virtual screening, to add flexibility to proteins and study them in a dynamic way. Furthermore, the use of multiple crystal structures of the same protein containing different co-crystallized ligands can help elucidate the role of the ligand on a protein's active conformation, and then explore the most common interactions between small molecules and the receptor. In this work, we evaluated the contribution of the combined use of MD on crystal structures containing the same protein but different ligands to examine the crucial ligand-protein interactions within the complexes. The study was carried out on peroxisome proliferator-activat…
Vitamin K, and Anaphylactic Shock
1991
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 …
A Promising New Method to Estimate Drug-Polymer Solubility at Room Temperature
2016
The established methods to predict drug-polymer solubility at room temperature either rely on extrapolation over a long temperature range or are limited by the availability of a liquid analogue of the polymer. To overcome these issues, this work investigated a new methodology where the drug-polymer solubility is estimated from the solubility of the drug in a solution of the polymer at room temperature using the shake-flask method. Thus, the new polymer in solution method does not rely on temperature extrapolations and only requires the polymer and a solvent, in which the polymer is soluble, that does not affect the molecular structure of the drug and polymer relative to that in the solid st…
Hydration and dehydration kinetics of xylazine hydrochloride
2009
From the experiments where mixture of xylazine hydrochloride hydrate H and anhydrous X were held at constant conditions, the stable form of xylazine hydrochloride can be found out. To determine equilibrium relative humidity, the unstable form of xylazine hydrochloride was inserted in thermostated humidity chamber and its weight was recorded by weighing the sample outside the chamber. The kinetic model and the rate constant for each condition were determined. The rate constants give information regarding the speed of the process at every experimentally used relative humidity. Thus using the data in coordinates k – p for each temperature it is possible to determine the water vapor pressure of…
Estabilidad de antocianinas durante el almacenamiento de jugos de arándanos
2016
Resumen: Antecedentes: Los arándanos y productos de arándano tienen alto valor nutricional, especialmente por su alto contenido de antocianinas. Estas son potentes antioxidantes y poseen alta capacidad de secuestrar radicales libres. Así, los arándanos y productos de arándanos han resultado atractivos para los consumidores interesados en alimentos funcionales. Sin embargo, los tratamientos térmicos y posterior almacenamiento de productos alimenticios influyen en el contenido de antocianinas. La cinética de degradación de las antocianinas puede ser evaluada desde una perspectiva termodinámica, basada en funciones como energía libre, entalpía, entropía y energía de activación. Objetivos: Se e…
New 1,2,4-oxadiazole nortopsentin derivatives with cytotoxic activity
2019
New analogs of nortopsentin, a natural 2,4-bis(3&prime
A synthetic derivative of antimicrobial peptide holothuroidin 2 from mediterranean sea cucumber (Holothuria tubulosa) in the control of Listeria mono…
2019
Due to the limited number of available antibiotics, antimicrobial peptides (AMPs) are considered antimicrobial candidates to fight difficult-to-treat infections such as those associated with biofilms. Marine environments are precious sources of AMPs, as shown by the recent discovery of antibiofilm properties of Holothuroidin 2 (H2), an AMP produced by the Mediterranean sea cucumber Holothuria tubulosa. In this study, we considered the properties of a new H2 derivative, named H2d, and we tested it against seven strains of the dangerous foodborne pathogen Listeria monocytogenes. This peptide was more active than H2 in inhibiting the growth of planktonic L. monocytogenes and was able to interf…
Catalysis Concepts in Medicinal Inorganic Chemistry
2018
Catalysis has strongly emerged in the field of medicinal inorganic chemistry as a suitable tool to deliver new drug candidates and to overcome drawbacks associated to metallodrugs. In this Concept article, we discuss representative examples of how catalysis has been applied in combination with metal complexes to deliver new therapy approaches. In particular, we explain key achievements in the design of catalytic metallodrugs that damage biomolecular targets and in the development of metal catalysis schemes for the activation of exogenous organic prodrugs. Moreover, we discuss our recent discoveries on the flavin-mediated bioorthogonal catalytic activation of metal-based prodrugs; a new cata…
Synthesis and antiproliferative activity of the ring system [1,2]oxazolo[4,5-g]indole.
2012
Brand new ring: A series of 27 derivatives of the new ring system [1,2]oxazolo[4,5-g]indole were conveniently prepared and tested at the NCI for antiproliferative studies. Several of them showed good inhibitory activity toward all tested cell lines, reaching GI50 values generally at the micromolar and sub-micromolar levels and in some cases at nanomolar concentrations. The mean GI50 values, calculated on the full panel, were in the range 0.25-7.08 μM.