Use of QSAR in design of antiinflammatory fluorinated arylalkanoic acids

1990 ◽  
Vol 55 (1) ◽  
pp. 296-306 ◽  
Author(s):  
Miroslav Kuchař ◽  
Jaroslava Grimová ◽  
Václav Rejholec ◽  
Hana Tomková ◽  
Magda Jelínková ◽  
...  
Keyword(s):  
Antiinflammatory Activity ◽  
Hydrophobic Interactions ◽  
Biological Activities ◽  
Regression Equations ◽  
Chemical Parameters ◽  
Pharmacological Profile ◽  
Physico Chemical ◽  
Layer Chromatography ◽  
Fibrinolytic Capacity ◽  
Good Coincidence

A series of 3-fluro-4-alkoxyphenylalkanoic acids III was synthetized and their antiinflammatory activity and fibrinolytic capacity was evaluated. The suitable fluorinated derivative with better pharmacological profile than 3-chloro-4-benzyloxyphenylacetic acid (benzofenac) was selected. Experimental, biological activities of acids III were compared with those calculated by introducing the physico-chemical parameters into the formerly derived regression equations. Good coincidence was found out, as well as similarity of the regression derived for the original series of acids extended by the acids III. Lipophilicity of the acids under study was evaluated by partition thin-layer chromatography; the values of log P of benzyloxy derivatives IIIc-IIIf were lower than tabulated values - probably due to the intramolecular hydrophobic interactions of aromatic nuclei.

Chiral Forms of 4-(2',4'-Difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic Acid (Flobufen) and Its Metabolite.Synthesis and Basic Biological Properties

1997 ◽  
Vol 62 (3) ◽  
pp. 498-509 ◽  
Author(s):  
Miroslav Kuchař ◽  
Marie Poppová ◽  
Antonín Jandera ◽  
Vladimíra Panajotovová ◽  
Hana Zůnová ◽  
...  
Keyword(s):  
Rheumatoid Arthritis ◽  
Biological Activities ◽  
Biological Properties ◽  
Optical Isomers ◽  
Clinical Testing ◽  
Chemical Parameters ◽  
Physico Chemical ◽  
Oxobutanoic Acid

4-(2',4'-Difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid (1, flobufen) is subjected to clinical testing in the treatment of rheumatoid arthritis. Owing to the occurrence of a centre of chirality, the compound exists in two enantiomers, and its major human metabolite, viz. 4-(2',4'-difluorobiphenyl-4-yl)-4-hydroxy-2-methylbutanoic acid isolated in the lactone form (2), possesses two chiral centres, making possible the existence of four stereoisomers. All of the optical isomers of the substances 1 and 2 were prepared. For flobufen (1), the racemate was separated into the stereoisomers by using the salts 3 with R-(+)- or S-(-)-1-phenylethylamine. The pairs of stereoisomers of 2, obtained by reduction of R-(+)-flobufen or the S-(-)-enantiomer, were separated by column chromatography. The physico-chemical parameters of the optical isomers were determined and some biological activities were evaluated in both in vitro and in vivo models.

Relationship between biological activity of phenols and their physico-chemical parameters

1986 ◽  
Vol 51 (1) ◽  
pp. 241-248 ◽  
Author(s):  
Miroslav Polster ◽  
Bohuslav Rittich ◽  
Renata Žaludová
Keyword(s):  
Biological Activity ◽  
Biological Activities ◽  
Individual Factors ◽  
Chemical Parameters ◽  
Substituted Phenols ◽  
Structure Activity ◽  
Physico Chemical ◽  
Steric Factors ◽  
Quantitative Structure Activity Relationships ◽  
The Relationship

The present work deals with the relationship between biological activities of differently substituted phenols and their physico-chemical parameters expressing the influence of hydrophobic, electronic and steric factors. The testing was performed with the fungi Trychophyton gypseum and Trychophyton gypseum var. Kaufman-Wolf and the yeast Candida albicans. Significant relationship between biological activity and pKA values was calculated. The interactions between individual factors as well as the influence of the position of substituents on quantitative structure-activity relationships are discussed.

scholarly journals Planar complexation chromatography of transition metal ions

2018 ◽  
Vol 17 (4) ◽  
pp. 682-688
Author(s):  
И. И. Малахова ◽  
В. Д. Красиков ◽  
Н. И. Горшков ◽  
А. Н. Беляев ◽  
С. М. Староверов
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
High Performance ◽  
Ph Value ◽  
Iminodiacetic Acid ◽  
Retention Factor ◽  
Transition Metal Ions ◽  
Chemical Parameters ◽  
Physico Chemical ◽  
Layer Chromatography

The method for analysis of transition metal ions (Zn(II), Cu(II), Со(II), Ni(II), Fe(III)) by high-performance planar (thin layer) chromatography with the use of sorbents modified by chelating fragments of iminodiacetic acid was developed. The correlation between retention factor (Rf) and physico-chemical parameters of the separated systems was studied. It was demonstrated that unlike the pH value, ionic strength of a solution does not exert significant influence on resolution and mobility of transition metal cations

scholarly journals Pharmacognostic Study of Leaves of Kigelia pinnata (Lam) Benth

2019 ◽  
Vol 9 (4) ◽  
pp. 594-597
Author(s):  
Sumia Fatima ◽  
P.D. Lokare
Keyword(s):  
Thin Layer ◽  
Thin Layer Chromatography ◽  
Chemical Constituent ◽  
Chemical Parameters ◽  
Physico Chemical ◽  
Kigelia Pinnata ◽  
Anti Cancer ◽  
Anti Oxidant ◽  
Medicinal Properties ◽  
Layer Chromatography

The  Kigelia pinnata (Lam) Benth is a species of the Bignoniaceae family commonly known as Kigelia africana is locally known as waghul phul.  The adult sausage tree has spectabular fruits these can weigh several kilogram hence the tree English common name worsboom.  Wherever the trees grows it is usually evergreen especially places where rainfall occurs throughout the year but deciduous in places of long dry season. Kigelia pinnata is renowned for its traditional application as anti-inflammatory, anti-diabetic, anti-oxidant, anti –microbial, and anti-cancer effects.  It contains chemical constituent like kigenol, kigelinone7, kigenol12, iso-kigenolls. In the present work pharmacognostic studies are carried out to investigate its medicinal properties.  The study consists of macroscopic character of the plant Kigelia pinnata physico-chemical parameters like total ash, acid insoluble ash, thin layer chromatography etc.  Keywords-  Kigelia pinnata,  pharmacognostic studies,  total ash, acid insoluble ash, thin layer chromatography

The effects of lipophilicity on the inhibition of denaturation of serum albumin and on the activation of fibrinolysis observed with a series of benzyloxyarylaliphatic acids

1983 ◽  
Vol 48 (4) ◽  
pp. 1077-1088 ◽  
Author(s):  
Miroslav Kuchař ◽  
Václav Rejholec ◽  
Zdeněk Roubal ◽  
Oluše Matoušová
Keyword(s):  
Experimental Data ◽  
Regression Analysis ◽  
Serum Albumin ◽  
Biological System ◽  
Antiinflammatory Activity ◽  
Chemical Parameters ◽  
Membrane Stabilization ◽  
Physico Chemical ◽  
Experimental Values

Activation of fibrinolysis and inhibition of denaturation of serum albumin by a series of substituted benzyloxyarylaliphatic acids have been measured and analyzed in relation to the physico-chemical parameters of these acids. The lipophilicity of the benzyloxy derivatives was characterized both by the tabulated parameters π and by experimental data obtained by TLC. Regression analysis has revealed that the derivatives manifest higher lipophilicities in both the activation of fibrinolysis and the inhibition of denaturation, and that these lipophilicities are better described by the tabulated data than by experimental values. Taking into account the earlier results of regression analysis of erythrocyte membrane stabilization and antiinflammatory activity it can be judged that the role of lipophilicities of these substances is influenced by the nature of their interaction with the biological system.

scholarly journals Potential impact of some abiotic parameters on a phytoplankton community in a confined bay of the Eastern Mediterranean Sea: Eastern Harbour of Alexandria, Egypt

2007 ◽  
Vol 8 (2) ◽  
pp. 49 ◽  
Author(s):  
A.M. ABDEL-HALIM ◽  
H.M. KHAIRY
Keyword(s):  
Phytoplankton Community ◽  
Eastern Mediterranean ◽  
Water Layer ◽  
Average Density ◽  
Stepwise Multiple Regression ◽  
Nutrient Concentrations ◽  
Regression Equations ◽  
Chemical Parameters ◽  
Open Sea ◽  
Physico Chemical

The Eastern Harbour (E.H.) is sheltered from the sea by a breakwater with two main entrances through which exchange with the netitic Mediterranean water takes place. Some physico-chemical parameters of the study area showed that dissolved oxygen ranged from 6.57 to 11.4 mg l-1 at the open sea station and 5.08 to 11.71 mg l-1 for the E.H. stations. Higher nutrient concentrations were recorded in the E.H. than that at the open sea station, except for ammonia and nitrate. The phytoplankton flora of the E. H. stations was much richer in species than the adjacent open sea station, attaining 96 and 74 species, respectively. As well as the average phytoplankton density, it was higher in the surface water than near the bottom water layer. With regard to the total phytoplankton community, Bacillariophyceae dominated at all sites, whereas Dinophyceae, Chlorophyceae, Cyanophyceae and Euglenophyceae were rarely recorded. The highest average density of phytoplankton abundance was recorded during March, both at the surface. Correlation coefficient of biological factors with some physico-chemical parameters and a series of stepwise multiple regression equations describing the dependence of phytoplankton density on the changes of most abiotic prevailing conditions are provided and discussed.

PHARMACOGNOSTIC STANDARDIZATION OF CALOTROPIS GIGANTEA (L.) DRYAND R

INDIAN DRUGS ◽  
2016 ◽  
Vol 53 (10) ◽  
pp. 5-11
Author(s):  
D Kumar ◽  
◽  
S Kumar
Keyword(s):  
Transverse Section ◽  
Volatile Oil ◽  
Vascular Bundles ◽  
Chemical Parameters ◽  
Calotropis Gigantea ◽  
Phloem Parenchyma ◽  
Mobile Phases ◽  
Physico Chemical ◽  
Layer Chromatography ◽  
Carbohydrate Contents

Pharmacognostic standards of Calotropis gigantea roots have been established, so that authentic plant material can be selected for further investigations to validate scientifically for its traditional claims. Transverse section of root showed presence of four layers of cork, eight layers of cortex comprising parenchyma and medullary rays and vascular bundles comprising phloem parenchyma at upper side followed by xylem made up of parenchyma and vessels. Various physico-chemical parameters of the plant, such as foreign organic matter, moisture, volatile oil, tannin, total protein and carbohydrate contents, ash values, extractive values, swelling index, foaming index, bitterness value and haemolytic value were generated. The content of toxic residues in plant complies with the limits. Phytochemical screening showed presence of fats, triterpenoids, flavonoids, saponins, steroids, tannins, proteins and carbohydrates in plant. Thin layer chromatography of n-hexane, chloroform and methanol extracts showed eleven, eight and eleven spots, respectively, using suitable mobile phases.

Seasonal Variation of Physico-Chemical Parameters in Kedilam River, Tamil Nadu, India

2012 ◽  
Vol 2 (10) ◽  
pp. 1-3
Author(s):  
Gyaneswar Bhuyan ◽  
◽  
Dr. R. Anandhan Dr. R. Anandhan ◽  
V. kavitha V. kavitha
Keyword(s):  
Seasonal Variation ◽  
Tamil Nadu ◽  
Chemical Parameters ◽  
Physico Chemical

Abundance of Noctiluca scintillans Macartney on the alteration of physico-chemical parameters at Minnie Bay, Port Blair, Andaman & Nicobar Islands, India

2007 ◽  
Vol 9 (3) ◽  
pp. 236-246
Author(s):  
P. D. Magesh ◽  
J. Santanakumar ◽  
P. Venkateshwaran ◽  
A. K. Abdul Nazar ◽  
R. Venkatesan ◽  
...  
Keyword(s):  
Chemical Parameters ◽  
Noctiluca Scintillans ◽  
Physico Chemical ◽  
Nicobar Islands
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