scholarly journals New Drugs for the Na + /H + Exchanger. Influence of Na + Concentration and Determination of Inhibition Constants with a Microphysiometer

1999 ◽  
Vol 168 (1) ◽  
pp. 39-45 ◽  
Author(s):  
H. Fischer ◽  
A. Seelig ◽  
N. Beier ◽  
P. Raddatz ◽  
J. Seelig
Keyword(s):  
New Drugs ◽  
Inhibition Constants

scholarly journals Determination of informant consensus factor of ethnomedicinal plants used in Kalenga forest, Bangladesh

2014 ◽  
Vol 21 (1) ◽  
pp. 83-91 ◽  
Author(s):  
Mohammad Zashim Uddin ◽  
Md. Abdul Hassan
Keyword(s):  
Healthcare Management ◽  
Forest Area ◽  
New Drugs ◽  
Average Value ◽  
Informant Consensus ◽  
Plant Taxon ◽  
Litsea Glutinosa ◽  
Ethnomedicinal Uses ◽  
Herbal Formulations

The present article tried to document the ethnomedicinal uses of plants and determine the consensus factor among villagers of Kalenga forest area to evaluate the potential for new drugs of herbal origin. This study was conducted in 2010 using semi-structured questionnaire with villagers engaged in the forest management. The present study documented 35 plant species under 25 families for treatment of 11 categories of ailments using 52 medicinal formularies in Kalenga forest area. There was great agreement among the informants regarding ethnomedicinal uses of plants with Factor of Informants Consensus (FIC) value ranging from 0.50 to 0.95, with an average value of 0.73. The study revealed that most of the informants agreed in the use of Litsea glutinosa (Lour.) Roxb. to treat dysentery (FIC 0.95) that showed the highest fidelity level (95.23%). The results of the study also indicated that L. glutinosa might be used for the development of new, cheap, effective, and eco-friendly herbal formulations for healthcare management. Villager’s views and our observations confirmed that L. glutinosa is a rare plant in the study area. Illegal and unsustainable collection of bark from this tree by the local crude drug traders considered as major causes of its depletion from nature.DOI: http://dx.doi.org/10.3329/bjpt.v21i1.19272Bangladesh J. Plant Taxon. 21(1): 83-91, 2014 (June)

scholarly journals Interactive Data Mining for Molecular Graphs

2009 ◽  
Vol 2009 ◽  
pp. 1-12 ◽  
Author(s):  
Burcu Yılmaz ◽  
Mehmet Göktürk
Keyword(s):  
Molecular Data ◽  
New Drugs ◽  
Clustering Methods ◽  
Interactive Approach ◽  
Specific Disease ◽  
Extensive Analysis ◽  
Interactive Data Mining ◽  
Interactive Data ◽  
Different Levels

Designing new medical drugs for a specific disease requires extensive analysis of many molecules that have an activity for the disease. The main goal of these extensive analyses is to discover substructures (fragments) that account for the activity of these molecules. Once they are discovered, these fragments are used to understand the structure of new drugs and design new medicines for the disease. In this paper, we propose an interactive approach for visual molecule mining to discover fragments of molecules that are responsible for the desired activity with respect to a specific disease. Our approach visualizes molecular data in a form that can be interpreted by a human expert. Using a pipelining structure, it enables experts to contribute to the solution with their expertise at different levels. In order to derive desired fragments, it combines histogram-based filtering and clustering methods in a novel way. This combination enables a flexible determination of frequent fragments that repeat in molecules exactly or with some variations.

Determination and Ratio of Ferulic Acid and Gastrodin in Xiongma Decoction Extract by Different Extraction Process

2014 ◽  
Vol 955-959 ◽  
pp. 740-743 ◽  
Author(s):  
Lin Liu ◽  
Yue Ting Liu ◽  
Ju Huo ◽  
Zhao Ying
Keyword(s):  
Ferulic Acid ◽  
Extraction Method ◽  
Mobile Phase ◽  
Acetic Acid Solution ◽  
Extraction Process ◽  
New Drugs ◽  
Quality Inspection ◽  
Ethanol Extraction ◽  
Main Effect

Objective: The determination and ratio of ferulic acid and gastrodin in Xiongma Decoction extract by different extraction process were compared, to provide scientific research basis on creating new drugs, controlling the quality combination of modern Compound Chinese, determining the main effect and compatibility. Methods: Chuanxiong and Tianma were extracted by different extraction method such as the boiling method and ethanol extraction by different concentrations to make ​​Xiongma Decoction. The content of ferulic acid and gastrodin were determination by HPLC to make Xiongma Decoction and their ratio was calculated. Chromatographic conditions of ferulic acid: mobile phase: methanol-0.01 % acetic acid solution (30:70, V/V), the detection wavelength: 310nm; chromatographic conditions of Gastrodin: mobile phase: acetonitrile-0.05 % phosphoric acid (3:97, V/V), detection wavelength: 220nm. Results: The determination of ferulic acid was 0.976mg • ml-1, gastrodin was 1.586mg • ml-1, the ratio of ferulic acid and gastrodin was1:1.6 in boiling method; while the determination of ferulic acid was 6.08mg • ml-1, gastrodin was 3.57mg • ml-1, the ratio was 1.7:1 in ethanol extraction. Conclusion: There are different determination and ratio, when there is different extraction process in the same prescription. This may bring about changes the main effect in prescription. This suggests that the ratio of the main active ingredient should be included in the quality inspection, when preparation process of the traditional recipe was changed.

scholarly journals Investigation of the irritant effects and allergenic properties of the Iron(IV) clathrochelate complexes

2020 ◽  
Vol 22 (97) ◽  
pp. 130-135
Author(s):  
V. B. Dukhnitsky ◽  
I. M. Derkach ◽  
S. S. Derkach ◽  
I. O. Fritsky ◽  
M. O. Plutenko ◽  
...  
Keyword(s):  
Body Weight ◽  
The Body ◽  
New Drugs ◽  
Laboratory Animals ◽  
Routes Of Administration ◽  
Skin Fold Thickness ◽  
Skin Fold ◽  
First Time ◽  
Clathrochelate Complexes

During the preclinical studies of new drugs, the study of the degree of manifestation of their irritant and allergenic effects affects subsequent clinical studies, for example the routes of administration, the need to add excipients to reduce irritation. The article presents the results of studies of the irritant effects and allergenic properties of the Iron in rare unconventional valence – IV. The irritant effect of the Iron(IV) clathrochelate complexes on the skin was studied comprehensively. 20 rabbits were divided into 4 groups (control and three experimental), 5 animals each. The  ointment on the vaseline and aqueous solution of the Iron(IV) clathrochelate complexes was applied to the skin of rabbits of the experimental groups. Also this solution was introduced subcutaneously. The investigated dosage forms were used at a dose of 1 ml/kg body weight (based on the active ingredient 500 mg/kg body weight of the laboratory animal). The results of the studies showed that of the Iron(IV) clathrochelate complexes has no irritant properties when used externally and is characterized by a lack of local reaction by subcutaneous injection. Determination of allergenic properties was performed by detecting itching and swelling in the guinea pigs in animals which were sensitized with this substance. In addition, in order to assess the severity of the inflammatory reaction, the skin temperature was determined before the experiment and on the 20th day of the experiment, and the skin fold thickness was measured using a caliper. The results of the studies showed that there is no allergic action of the Iron(IV) clathrochelate complexes. The results of the ophthalmic test on laboratory animals confirmed the data obtained.Therefore, comprehensive studies of the irritant and allergenic effects of the Iron(IV) clathrochelate complexes were performed for the first time. The Iron(IV) clathrochelate complexes in the form of ointment and solution does not irritate the skin and mucous membranes and has no allergenic properties to the body of the laboratory animals.

Metabolism Study of N-Methyl 2-Aminoindane (NM2AI) and Determination of Metabolites in Biological Samples by LC–HRMS

2020 ◽  
Author(s):  
Serena Mestria ◽  
Sara Odoardi ◽  
Sofia Federici ◽  
Sabrine Bilel ◽  
Micaela Tirri ◽  
...  
Keyword(s):  
Biological Samples ◽  
In Silico ◽  
High Resolution Mass Spectrometry ◽  
New Drugs ◽  
New Psychoactive Substances ◽  
Hair Samples ◽  
Metabolism Study ◽  
Fragmentation Patterns

Abstract Since the widespread diffusion of new psychoactive substances, forensic laboratories are often required to identify new drugs and their metabolites for which information or reference standards are lacking. We performed a study on N-methyl-2-aminoindane (NM2AI) metabolism in silico and in vivo, in order to identify the main metabolites to be screened in the different biological samples. We performed the in silico metabolism prediction of NM2AI using MetaSiteTM software and subsequently verified the presence of metabolites in the blood, urine and hair of mice after NM2AI administration. The samples were analyzed by liquid chromatography–high-resolution mass spectrometry (LC–HRMS) with a benchtop Orbitrap Exactive mass detector. This allowed the evaluation of the agreement between software prediction and experimental results in biological samples. LC–HRMS analysis identified seven main metabolites in the urine. They were identified, by their accurate masses and fragmentation patterns, as 2-aminoindane (2AI), two hydroxy-2AI and four hydroxy-NM2AI; one of the hydroxy-NM2AI and one of the hydroxy-2AI underwent also to conjugation. NM2AI and 2AI were also detected by LC–HRMS in the hair and blood. Based on these findings, we developed an LC–HRMS method for the screening of NM2AI and metabolites in urine, blood and hair samples. This can be of primary effectiveness to uncover the abuse of NM2AI and related possible intoxications.

Evaluation of the effectiveness of letrozole in the treatment of experimentally modeled endometriosis in rats

2019 ◽  
Vol 11 (3) ◽  
pp. 126-131
Author(s):  
Maria Yarmolinskaya ◽  
Arsenii Molotkov
Keyword(s):  
Side Effects ◽  
Aromatase Inhibitors ◽  
Histological Study ◽  
New Drugs ◽  
Laboratory Animals ◽  
Control Group ◽  
Cost Of Treatment ◽  
Receive Treatment ◽  
Increased Activity

The necessity of finding new drugs for the treatment of endometriosis is stipulated by significant number of recurrences, side effects, and high cost of treatment. Increased activity of aromatase in endometrioid heterotopies is revealed. That is why, aromatase inhibitors may be effective in the treatment of endometriosis. In this study, endometriosis was modeled in rats by autotransplantation of uterine fragments to peritoneum, which was supplemented by ovariectomy and ethinylestradiol replacement therapy. After 14 ± 2 days, laboratory animals underwent laparoscopy to measure formed heterotopies and then the rats were divided into two groups. Nine animals were receiving letrozole (0.5 mg/kg/day) therapy for 3 weeks. The rats of the control group did not receive treatment (n = 11). At the end of the experiment (21 ± 3 days after laparoscopy), re-evaluation and determination of size of heterotopies as well as histological study were carried out in two groups. In all the rats of the main group, treated with letrozole, the decrease in the size of heterotopies was revealed; the percentage of reduction was 79.92% ± 7.89% (p < 0.0001). Growth of all endometriotic foci was observed in the control group. Thus, the use of the aromatase inhibitor letrozole in the treatment of endometriosis is effective.

Structural Determination of an Orphan Natural Product Using Microcrystal Electron Diffraction and Genome Mining

2020 ◽  
Author(s):  
Lee Joon Kim ◽  
Masao Ohashi ◽  
Dan Tan ◽  
Matthew Asay ◽  
Duilio Cascio ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Natural Product ◽  
Genome Mining ◽  
Precise Determination ◽  
New Drugs ◽  
Structural Determination ◽  
Natural Product Discovery ◽  
Living Organisms

<p>More than 60% of pharmaceuticals are related to natural products (NPs), chemicals produced by living organisms.<a></a> Hence, new methods that accelerate natural product discovery are poised to profoundly impact human health. Of the many challenges that remain in natural product discovery, none are as pervasive as structural elucidation, as determination of the molecular structure of a newly discovered natural product can take months, years, or in some cases be altogether unachievable. This challenge can be fueled by lack of sufficient material for spectroscopic analysis, or difficulties in sourcing the producing organism. Even in cases where the analyte is abundant, its physical properties, including molecular structure, can prevent unambiguous structural determination. Here we report the use of microcrystal electron diffraction (MicroED),<a></a> an emerging cryogenic electron microscopy (CryoEM) technique, in combination with genome mining, to address these challenges. As proof-of-principle, we apply these techniques to fischerin (<b>1</b>), an orphan NP isolated more than 30 years ago, with potent cytotoxicity but ambiguous structural assignment.<a></a> We utilize genome mining methods to reconstruct its biosynthetic pathway and highlight the sensitivity of MicroED through the precise determination of the solid-state structure of <b>1</b> from sub-micron thick crystals. This structural solution serves as a powerful demonstration of the synergy of MicroED and synthetic biology in NP discovery, technologies that when taken together will ultimately accelerate the rate at which new drugs are discovered.</p><div><div><p> </p></div></div>

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