scholarly journals Structural/Functional Matches and Divergences of Phytoprostanes and Phytofurans with Bioactive Human Oxylipins

Antioxidants ◽  
2018 ◽  
Vol 7 (11) ◽  
pp. 165 ◽  
Author(s):  
Sonia Medina ◽  
Ángel Gil-Izquierdo ◽  
Thierry Durand ◽  
Federico Ferreres ◽  
Raúl Domínguez-Perles
Keyword(s):  
Biological Activity ◽  
High Throughput ◽  
Medicinal Chemistry ◽  
Bioactive Molecules ◽  
Activity Relationship ◽  
Experimental Demonstration ◽  
Biological Functions ◽  
Plant Foods ◽  
Structure Activity ◽  
Analytical Approaches

Structure-activity relationship (SAR) constitutes a crucial topic to discover new bioactive molecules. This approach initiates with the comparison of a target candidate with a molecule or a collection of molecules and their attributed biological functions to shed some light in the details of one or more SARs and subsequently using that information to outline valuable application of the newly identified compounds. Thus, while the empiric knowledge of medicinal chemistry is critical to these tasks, the results retrieved upon dedicated experimental demonstration retrieved resorting to modern high throughput analytical approaches and techniques allow to overwhelm the constraints adduced so far to the successful accomplishment of such tasks. Therefore, the present work reviews critically the evidences reported to date on the occurrence of phytoprostanes and phytofurans in plant foods, and the information available on their bioavailability and biological activity, shedding some light on the expectation waken up due to their structural similarities with prostanoids and isoprostanes.

Biological Activity of Trans-Membrane Anion Carriers

2018 ◽  
Vol 25 (30) ◽  
pp. 3560-3576 ◽  
Author(s):  
Massimo Tosolini ◽  
Paolo Pengo ◽  
Paolo Tecilla
Keyword(s):  
Biological Activity ◽  
Membrane Transport ◽  
Anticancer Agents ◽  
Biological Effects ◽  
Structure Activity Relationship ◽  
New Drugs ◽  
Activity Relationship ◽  
Anion Channels ◽  
Cellular Homeostasis ◽  
Structure Activity

Natural and synthetic anionophores promote the trans-membrane transport of anions such as chloride and bicarbonate. This process may alter cellular homeostasis with possible effects on internal ions concentration and pH levels triggering several and diverse biological effects. In this article, an overview of the recent results on the study of aniontransporters, mainly acting with a carrier-type mechanism, is given with emphasis on the structure/activity relationship and on their biological activity as antibiotic and anticancer agents and in the development of new drugs for treating conditions derived from dysregulation of natural anion channels.

scholarly journals The Psychonauts’ Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity

2021 ◽  
Vol 14 (8) ◽  
pp. 720
Author(s):  
Valeria Catalani ◽  
Michelle Botha ◽  
John Martin Corkery ◽  
Amira Guirguis ◽  
Alessandro Vento ◽  
...  
Keyword(s):  
Biological Activity ◽  
Computational Models ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Docking Studies ◽  
Health Concern ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
High Biological Activity ◽  
Structure Activity

Designer benzodiazepines (DBZDs) represent a serious health concern and are increasingly reported in polydrug consumption-related fatalities. When new DBZDs are identified, very limited information is available on their pharmacodynamics. Here, computational models (i.e., quantitative structure-activity relationship/QSAR and Molecular Docking) were used to analyse DBZDs identified online by an automated web crawler (NPSfinder®) and to predict their possible activity/affinity on the gamma-aminobutyric acid A receptors (GABA-ARs). The computational software MOE was used to calculate 2D QSAR models, perform docking studies on crystallised GABA-A receptors (6HUO, 6HUP) and generate pharmacophore queries from the docking conformational results. 101 DBZDs were identified online by NPSfinder®. The validated QSAR model predicted high biological activity values for 41% of these DBDZs. These predictions were supported by the docking studies (good binding affinity) and the pharmacophore modelling confirmed the importance of the presence and location of hydrophobic and polar functions identified by QSAR. This study confirms once again the importance of web-based analysis in the assessment of drug scenarios (DBZDs), and how computational models could be used to acquire fast and reliable information on biological activity for index novel DBZDs, as preliminary data for further investigations.

scholarly journals The Impact of O-Glycosylation on Cyanidin Interaction with POPC Membranes: Structure-Activity Relationship

Molecules ◽  
2018 ◽  
Vol 23 (11) ◽  
pp. 2771
Author(s):  
Sylwia Cyboran-Mikołajczyk ◽  
Piotr Jurkiewicz ◽  
Martin Hof ◽  
Halina Kleszczyńska
Keyword(s):  
Biological Activity ◽  
Free Radicals ◽  
Lipid Bilayer ◽  
Lipid Membrane ◽  
Lipid Vesicles ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Beneficial Effects ◽  
Structure Activity ◽  
The Impact

Cyanidin and its O-glycosides have many important physiological functions in plants and beneficial effects on human health. Their biological activity is not entirely clear and depends on the structure of the molecule, in particular, on the number and type of sugar substituents. Therefore, in this study the detailed structure-activity relationship (SARs) of the anthocyanins/anthocyanidins in relation to their interactions with lipid bilayer was determined. On the basis of their antioxidant activity and the changes induced by them in size and Zeta potential of lipid vesicles, and mobility and order of lipid acyl chains, the impact of the number and type of sugar substituents on the biological activity of the compounds was evaluated. The obtained results have shown, that 3-O-glycosylation changes the interaction of cyanidin with lipid bilayer entirely. The 3-O-glycosides containing a monosaccharide induces greater changes in physical properties of the lipid membrane than those containing disaccharides. The presence of additional sugar significantly reduces glycoside interaction with model lipid membrane. Furthermore, O-glycosylation alters the ability of cyanidin to scavenge free radicals. This alteration depends on the type of free radicals and the sensitivity of the method used for their determination.

Spruce budworm (Choristoneurafumiferana) antifeedants 2. Structure–activity relationship among some functionalized decalin compounds

1990 ◽  
Vol 68 (7) ◽  
pp. 1170-1177 ◽  
Author(s):  
T. H. Chan ◽  
K. R. Guertin ◽  
C. V. C. Prasad ◽  
A. W. Thomas ◽  
G. M. Strunz ◽  
...  
Keyword(s):  
Biological Activity ◽  
Spruce Budworm ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity

Several compounds, each possessing a polyoxygenated decalin structure, were synthesized and tested for antifeedant activities against the spruce budworm, Choristoneurafumiferana. Definite biological activity was observed for some of these compounds. A structure–activity relationship was discussed on the basis of these results. Keywords: decalin, synthesis, antifeedant, spruce budworm.

scholarly journals Fucoidan Extracted from Undaria pinnatifida: Source for Nutraceuticals/Functional Foods

Marine Drugs ◽  
2018 ◽  
Vol 16 (9) ◽  
pp. 321 ◽  
Author(s):  
Yu Zhao ◽  
Yizhou Zheng ◽  
Jie Wang ◽  
Shuyi Ma ◽  
Yiming Yu ◽  
...  
Keyword(s):  
Biological Activity ◽  
Functional Foods ◽  
Undaria Pinnatifida ◽  
Biological Effects ◽  
Activity Relationship ◽  
Future Research ◽  
Brown Seaweeds ◽  
Anticancer Effects ◽  
Structure Activity ◽  
Health Products

The importance of fucoidan as a functional ingredient in food, health products, and pharmaceutics is well-recognized due to its beneficial biological effects. Fucoidan is usually extracted from brown seaweeds, including Undaria pinnatifida. Fucoidan exhibits beneficial bio-activity and has antioxidant, anticancer, and anticoagulant properties. This review focuses on the biological activity of U. pinnatifida-derived fucoidan and investigates its structure–activity or fraction–activity relationship. It also describes several fucoidan extracts, along with their claimed anticancer effects. It aims to provide information and thoughts for future research such as the development of fucoidan into functional foods or nutraceuticals.

Synthesis of Hippospongic Acid A Analogues Designed for Investigating the Structure-Activity Relationship of its Biological Activity

2000 ◽  
Vol 53 (12) ◽  
pp. 909 ◽  
Author(s):  
Yoshikazu Hiraga ◽  
Mariko Ago ◽  
Munetaka Tokumasu ◽  
Ken Kaku ◽  
Katsuo Ohkata
Keyword(s):  
Biological Activity ◽  
Carboxylic Acid ◽  
Sea Urchin ◽  
Essential Feature ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Acid Moiety ◽  
Sea Urchin Embryos ◽  
Structure Activity ◽  
Relationship Of

Analogues of hippospongic acid A, which inhibit the gastrulation of sea urchin embryos, were synthesized. From a study on structure—activity relationships, the conjugated carboxylic acid moiety was found to be an essential feature for biological activity.

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