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.

The History and Development of Quantitative Structure-Activity Relationships (QSARs)

2017 ◽  
Vol 2 (2) ◽  
pp. 36-46 ◽  
Author(s):  
John C. Dearden
Keyword(s):  
Molecular Structure ◽  
Biological Activity ◽  
Molecular Descriptors ◽  
Biological Activities ◽  
Molecular Size ◽  
Liquid Viscosity ◽  
Quantitative Structure ◽  
Structure Activity ◽  
The Subject ◽  
Quantitative Structure Activity Relationships

Following the publication of the history and development of QSAR, it became apparent that a number of matters had not been covered. This addendum is an attempt to rectify that. A very early approach (ca. 60 B.C.) by Lucretius shows that he understood how molecular size and complexity affect liquid viscosity. Comments by Kant (1724-1804) emphasized the necessity of mathematics in science. A claim that the work of von Bibra and Harless in 1847 pre-dated that of Overton and H.H. Meyer is shown not to be correct. K.H. Meyer and Gottlieb-Billroth published in 1920 what is probably the first QSAR equation. Brown, who with his co-author Fraser is credited with the first definitive recognition in 1868-9 that biological activity is a function of molecular structure, is often cited as Crum Brown; in fact, Crum was his second given name. The QSAR work of the Soviet chemist N.V. Lazarev in the 1940s was far ahead of his time, showing numerous correlations of biological activities and physicochemical properties with molecular descriptors. The subject of inverse QSAR is discussed.

scholarly journals Diurnal vertical migration of some cladocerans in relation to the physico-chemical factors in a fish pond

1970 ◽  
Vol 20 (2) ◽  
pp. 147-154 ◽  
Author(s):  
AS Bhuiyan ◽  
S Akhter ◽  
MMA Quddus
Keyword(s):  
Key Words ◽  
Vertical Migration ◽  
Fish Pond ◽  
Chemical Parameters ◽  
Surface Layers ◽  
Diurnal Vertical Migration ◽  
Physico Chemical ◽  
Chemical Factors ◽  
Diurnal Movement ◽  
The Relationship

Diurnal vertical migration of four genera of cladocerans, namely Diaphanosoma sp., Daphnia sp., Moina sp. and Bosmina sp., during March to December, 2007 showed that the number of Diaphanosoma sp. was 501 units/1 in the surface layers, 172 units/l in the middle layers and 190 units/l in the bottom layers. The yearly number of Daphnia sp. in surface, middle and bottom layerss was 362 units/l, 46 units/l and 189 units/l respectively. In surface, bottom and middle layers, the number of Moina sp. was 159, 71 and 32 units/l, respectively. Bosmina sp. was 78 units/l in surface, 31 units/l in the middle and 33 units/l in the bottom layers. The number of Diaphanosoma sp., Daphnia sp., Moina sp., Bosmina sp., were 455, 149, 259 and 358 units/l, respectively in the morning, 63, 176, 142, 43 units/l at noon and 107, 55, 28, 59 units/l, respectively in the evening. Throughout the study period the cladocerans were always abundant near the surface during morning and evening. Among the factors responsible for the diurnal movement of cadoceran, light played the most important factor. The relationship between the physico-chemical factors and the cladoceran occurrence in the pond was also explored. Key words: Cladocera; Diurnal migration; Physico-chemical parameters; Fish pond DOI: http://dx.doi.org/10.3329/dujbs.v20i2.8975 DUJBS 2011; 20(2): 147-154

Design, synthesis and biological activities of pyrrole-3-carboxamide derivatives as EZH2 (enhancer of zeste homologue 2) inhibitors and anticancer agents

2020 ◽  
Vol 44 (6) ◽  
pp. 2247-2255
Author(s):  
Qifan Zhou ◽  
Lina Jia ◽  
Fangyu Du ◽  
Xiaoyu Dong ◽  
Wanyu Sun ◽  
...  
Keyword(s):  
Biological Activity ◽  
Anticancer Agents ◽  
Biological Activities ◽  
Activity Assay ◽  
Design Synthesis ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Enhancer Of Zeste

A novel series of pyrrole-3-carboxamides targeting EZH2 have been designed and synthesized. The structure–activity relationships were summarized by combining with in vitro biological activity assay and docking results.

Antinociceptive Activity and Preliminary Structure-Activity Relationship of Chalcone-Like Compounds

2008 ◽  
Vol 63 (11-12) ◽  
pp. 830-836 ◽  
Author(s):  
Rogério Corrêa ◽  
Bruna Proiss Fenner ◽  
Fátima de Campos Buzzi ◽  
Valdir Cechinel Filho ◽  
Ricardo José Nunes
Keyword(s):  
Biological Activity ◽  
Biological Activities ◽  
Antinociceptive Effect ◽  
Experimental Models ◽  
Antinociceptive Activity ◽  
Dominant Factor ◽  
Writhing Test ◽  
Aromatic Ketones ◽  
Structure Activity ◽  
Relationship Of

Abstract Chalcones belong to a class of α,β unsaturated aromatic ketones which occur abundantly in nature, especially in plants. They are promising and interesting compounds due to their vast applications in pharmaceuticals, agriculture and industry. Several studies have shown that these compounds exert important biological activities in different experimental models. The present work deals with the antinociceptive activity, evaluated against the writhing test, of three series of chalcone-like compounds obtained by the Claisen-Schmidt condensation, using different aldehydes and substituted acetophenones. The results reveal that the compounds synthesized show a significant antinociceptive effect compared with nonsteroidal drugs such as aspirin, paracetamol and diclofenac. They also show that the electronic demand of the substituents is the dominant factor of the biological activity.

Abductive networks: generalization, pattern recognition, and prediction of chemical behavior

1993 ◽  
Vol 71 (11) ◽  
pp. 1800-1804 ◽  
Author(s):  
John L.E. Campbell ◽  
Keith E. Johnson
Keyword(s):  
Dipole Moments ◽  
Numerical Data ◽  
Mathematical Representation ◽  
Regression Equations ◽  
Chemical Behavior ◽  
Substituted Phenols ◽  
Structure Activity ◽  
Kováts Indices ◽  
Abductive Network ◽  
Quantitative Structure Activity Relationships

Using commercially available software, it is possible to reduce numerical data to a mathematical representation called an abductive network (AN). In the current communication, we describe several simple examples which illustrate the interesting, and potentially useful properties of abductive networks. We show that when applied to the correlation of Kovats indices with molecular refractivities and dipole moments of substituted phenols, abductive networks more accurately predict Kovats indices than do counter-propagation neural networks or linear regression equations. When applied to the modeling of quantitative structure–activity relationships (QSAR) for local anesthetics, AN's are marginally superior to regression. AN's offer the advantage that correlations may be drawn between variables which are not easily related within a mathematical context.

Synthesis and Biological Activities of Sulfonated Polysaccharides Having Pentofuransidic Structures

2007 ◽  
Vol 342-343 ◽  
pp. 721-724
Author(s):  
Byung Won Kang ◽  
T. Yoshida ◽  
Jong Baek Lee ◽  
S.J. Jeon ◽  
H.D. Choi
Keyword(s):  
Biological Activity ◽  
Biological Activities ◽  
Anticoagulant Activity ◽  
Polymer Backbone ◽  
Molecular Weights ◽  
The Relationship ◽  
Anti Hiv

In order to elucidate the relationship between the structure and biological activity such as anti-HIV and blood anticoagulant activity, sulfonated polysaccharides and amino-polysaccharides having pentofuranosidic structures were synthesized. These sulfonated polysaccharides had potent anti-HIV activity in spite of low molecular weights, and which was dependent on the degree of sulfonation. For the blood anticoagulant activity, the conformation of polymer backbone and sulfamide group plays an important role on the interactions with the blood anticoagulant factor.

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