Biological activities of Pseudevernia furfuracea (L.) Zopf extracts and isolation of the active compounds

2012 ◽  
Vol 144 (3) ◽  
pp. 726-734 ◽  
Author(s):  
Ayşegül Güvenç ◽  
Esra Küpeli Akkol ◽  
İpek Süntar ◽  
Hikmet Keleş ◽  
Sulhiye Yıldız ◽  
...  
Keyword(s):  
Biological Activities ◽  
Active Compounds ◽  
Pseudevernia Furfuracea

Combinatorial Design of Molecule using Activity-Linked Substructural Topological Information as Applied to Antitubercular Compounds

2018 ◽  
Vol 15 (1) ◽  
pp. 67-81 ◽  
Author(s):  
Chandan Raychaudhury ◽  
Md. Imbesat Hassan Rizvi ◽  
Debnath Pal
Keyword(s):  
Biological Activities ◽  
Combinatorial Design ◽  
Combinatorial Structure ◽  
Potential Drug ◽  
Structure Generation ◽  
Topological Information ◽  
Active Compounds ◽  
Antitubercular Drugs ◽  
Topological Distance ◽  
Drug Molecules

Background: Generating a large number of compounds using combinatorial methods increases the possibility of finding novel bioactive compounds. Although some combinatorial structure generation algorithms are available, any method for generating structures from activity-linked substructural topological information is not yet reported. Objective: To develop a method using graph-theoretical techniques for generating structures of antitubercular compounds combinatorially from activity-linked substructural topological information, predict activity and prioritize and screen potential drug candidates. </P><P> Methods: Activity related vertices are identified from datasets composed of both active and inactive or, differently active compounds and structures are generated combinatorially using the topological distance distribution associated with those vertices. Biological activities are predicted using topological distance based vertex indices and a rule based method. Generated structures are prioritized using a newly defined Molecular Priority Score (MPS). Results: Studies considering a series of Acid Alkyl Ester (AAE) compounds and three known antitubercular drugs show that active compounds can be generated from substructural information of other active compounds for all these classes of compounds. Activity predictions show high level of success rate and a number of highly active AAE compounds produced high MPS score indicating that MPS score may help prioritize and screen potential drug molecules. A possible relation of this work with scaffold hopping and inverse Quantitative Structure-Activity Relationship (iQSAR) problem has also been discussed. The proposed method seems to hold promise for discovering novel therapeutic candidates for combating Tuberculosis and may be useful for discovering novel drug molecules for the treatment of other diseases as well.

Muramyl-dipeptide analogues: Synthesis and biological activities

1988 ◽  
Vol 53 (11) ◽  
pp. 2897-2906 ◽  
Author(s):  
Jan Ježek ◽  
Milan Zaoral ◽  
Miloš Buděšínský ◽  
Jiří Günther ◽  
Jiří Rotta
Keyword(s):  
Biological Activities ◽  
Muramyl Dipeptide ◽  
Delayed Hypersensitivity ◽  
Test Compound ◽  
Active Compounds ◽  
Dipeptide Analogues ◽  
Pyrogenic Activity

In the search for immunoadjuvant active compounds without pyrogenic activity we prepared N-Ac-norMur-L-Abu-D-Gln-O-Bu (V), N-Ac-Mur-L-Abu-D-Gln-O-Bu (VII) and their respective α-benzylglycosides VI and VIII. All the prepared compounds are nonpyrogenic. In the delayed hypersensitivity test, compound V is inactive, VI is comparable to MDP, VII is more and VIII is less active than MDP.

scholarly journals Green Synthesis andIn VitroBiological Evaluation of Heteroaryl Chalcones and Pyrazolines of Medicinal Interest

2013 ◽  
Vol 2013 ◽  
pp. 1-4 ◽  
Author(s):  
Vishal Banewar
Keyword(s):  
Green Synthesis ◽  
Elemental Analysis ◽  
Broad Spectrum ◽  
Spectroscopic Data ◽  
Heterocyclic Compounds ◽  
Biological Activities ◽  
Biological Evaluation ◽  
Active Compounds

Pyrazolines are well known and important nitrogen containing 5-membered heterocyclic compounds. In the present investigation, a series of various heteroaryl chalcones and pyrazolines were synthesized by condensing formylquinolines with diverse ketones. The newly synthesized 2-pyrazolines were characterized on the basis of elemental analysis and spectroscopic data. All of the newly synthesized target compounds were selected by the NCI forin vitrobiological evaluation. These active compounds exhibited broad spectrum of various biological activities. Most of the compounds showed potent activity.

scholarly journals Activity-relevant similarity values for fingerprints and implications for similarity searching

F1000Research ◽  
2016 ◽  
Vol 5 ◽  
pp. 591 ◽  
Author(s):  
Swarit Jasial ◽  
Ye Hu ◽  
Martin Vogt ◽  
Jürgen Bajorath
Keyword(s):  
Characteristic Feature ◽  
Success Rate ◽  
Similarity Search ◽  
Unsolved Problem ◽  
Biological Activities ◽  
Similarity Searching ◽  
Search Performance ◽  
General Activity ◽  
Active Compounds ◽  
Scientific Foundation

A largely unsolved problem in chemoinformatics is the issue of how calculated compound similarity relates to activity similarity, which is central to many applications. In general, activity relationships are predicted from calculated similarity values. However, there is no solid scientific foundation to bridge between calculated molecular and observed activity similarity. Accordingly, the success rate of identifying new active compounds by similarity searching is limited. Although various attempts have been made to establish relationships between calculated fingerprint similarity values and biological activities, none of these has yielded generally applicable rules for similarity searching. In this study, we have addressed the question of molecular versus activity similarity in a more fundamental way. First, we have evaluated if activity-relevant similarity value ranges could in principle be identified for standard fingerprints and distinguished from similarity resulting from random compound comparisons. Then, we have analyzed if activity-relevant similarity values could be used to guide typical similarity search calculations aiming to identify active compounds in databases. It was found that activity-relevant similarity values can be identified as a characteristic feature of fingerprints. However, it was also shown that such values cannot be reliably used as thresholds for practical similarity search calculations. In addition, the analysis presented herein helped to rationalize differences in fingerprint search performance.

scholarly journals Co-Microencapsulation of Anthocyanins from Black Currant Extract and Lactic Acid Bacteria in Biopolymeric Matrices

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1700 ◽  
Author(s):  
Iuliana Maria Enache ◽  
Aida Mihaela Vasile ◽  
Elena Enachi ◽  
Vasilica Barbu ◽  
Nicoleta Stănciuc ◽  
...  
Keyword(s):  
Lactic Acid ◽  
Lactic Acid Bacteria ◽  
Biological Activities ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
Confocal Laser ◽  
In Vitro Digestibility ◽  
Black Currant ◽  
Active Compounds ◽  
Food Ingredients

Anthocyanins from black currant extract and lactic acid bacteria were co-microencapsulated using a gastro-intestinal-resistant biocomposite of whey protein isolate, inulin, and chitosan, with an encapsulation efficiency of 95.46% ± 1.30% and 87.38% ± 0.48%, respectively. The applied freeze-drying allowed a dark purple stable powder to be obtained, with a satisfactory content of phytochemicals and 11 log colony forming units (CFU)/g dry weight of powder (DW). Confocal laser microscopy displayed a complex system, with several large formations and smaller aggregates inside, consisting of biologically active compounds, lactic acid bacteria cells, and biopolymers. The powder showed good storage stability, with no significant changes in phytochemicals and viable cells over 3 months. An antioxidant activity of 63.64 ± 0.75 mMol Trolox/g DW and an inhibitory effect on α-amylase and α-glucosidase of 87.10% ± 2.08% and 36.96% ± 3.98%, respectively, highlighted the potential biological activities of the co-microencapsulated powder. Significantly, the in vitro digestibility profile showed remarkable protection in the gastric environment, with controlled release in the intestinal simulated environment. The powder was tested by addition into a complex food matrix (yogurt), and the results showed satisfactory stability of biologically active compounds when stored for 21 d at 4 °C. The obtained results confirm the important role of microencapsulation in ensuring a high degree of protection, thus allowing new approaches in developing food ingredients and nutraceuticals, with enhanced functionalities.

scholarly journals Activity-relevant similarity values for fingerprints and implications for similarity searching

F1000Research ◽  
2016 ◽  
Vol 5 ◽  
pp. 591 ◽  
Author(s):  
Swarit Jasial ◽  
Ye Hu ◽  
Martin Vogt ◽  
Jürgen Bajorath
Keyword(s):  
Characteristic Feature ◽  
Success Rate ◽  
Similarity Search ◽  
Unsolved Problem ◽  
Biological Activities ◽  
Similarity Searching ◽  
Search Performance ◽  
General Activity ◽  
Active Compounds ◽  
Scientific Foundation

A largely unsolved problem in chemoinformatics is the issue of how calculated compound similarity relates to activity similarity, which is central to many applications. In general, activity relationships are predicted from calculated similarity values. However, there is no solid scientific foundation to bridge between calculated molecular and observed activity similarity. Accordingly, the success rate of identifying new active compounds by similarity searching is limited. Although various attempts have been made to establish relationships between calculated fingerprint similarity values and biological activities, none of these has yielded generally applicable rules for similarity searching. In this study, we have addressed the question of molecular versus activity similarity in a more fundamental way. First, we have evaluated if activity-relevant similarity value ranges could in principle be identified for standard fingerprints and distinguished from similarity resulting from random compound comparisons. Then, we have analyzed if activity-relevant similarity values could be used to guide typical similarity search calculations aiming to identify active compounds in databases. It was found that activity-relevant similarity values can be identified as a characteristic feature of fingerprints. However, it was also shown that such values cannot be reliably used as thresholds for practical similarity search calculations. In addition, the analysis presented herein helped to rationalize differences in fingerprint search performance.

scholarly journals Pyrazolyl-Ureas as Interesting Scaffold in Medicinal Chemistry

Molecules ◽  
2020 ◽  
Vol 25 (15) ◽  
pp. 3457 ◽  
Author(s):  
Chiara Brullo ◽  
Federica Rapetti ◽  
Olga Bruno
Keyword(s):  
P38 Mapk ◽  
Medicinal Chemistry ◽  
Biological Activities ◽  
Wide Spectrum ◽  
Biological Data ◽  
Biologically Active ◽  
Pyrazole Derivatives ◽  
Intracellular Level ◽  
Active Compounds ◽  
Privileged Scaffold

The pyrazole nucleus has long been known as a privileged scaffold in the synthesis of biologically active compounds. Within the numerous pyrazole derivatives developed as potential drugs, this review is focused on molecules characterized by a urea function directly linked to the pyrazole nucleus in a different position. In the last 20 years, the interest of numerous researchers has been especially attracted by pyrazolyl-ureas showing a wide spectrum of biological activities, ranging from the antipathogenic activities (bacteria, plasmodium, toxoplasma, and others) to the anticarcinogenic activities. In particular, in the anticancer field, pyrazolyl-ureas have been shown to interact at the intracellular level on many pathways, in particular on different kinases such as Src, p38-MAPK, TrKa, and others. In addition, some of them evidenced an antiangiogenic potential that deserves to be explored. This review therefore summarizes all these biological data (from 2000 to date), including patented compounds.

scholarly journals Effect of in-vitro digestion on the bio active compounds and biological activities of fruit pomaces

2020 ◽  
Vol 57 (12) ◽  
pp. 4707-4715
Author(s):  
Prakash Kumar Nayak ◽  
Chandra Mohan Chandrasekar ◽  
Anjelina Sundarsingh ◽  
Radha Krishnan Kesavan
Keyword(s):  
Biological Activities ◽  
In Vitro Digestion ◽  
Active Compounds

scholarly journals Biological Activities of Extracts from Different Parts of two Cultivars of Prunus persica ‘Akatsuki’ and ‘Fastigiata’

2018 ◽  
Vol 13 (10) ◽  
pp. 1934578X1801301 ◽  
Author(s):  
Toshinori Nakagawa ◽  
Ahmed E. Allam ◽  
Koichiro Ohnuki ◽  
Kuniyoshi Shimizu
Keyword(s):  
Active Compound ◽  
Prunus Persica ◽  
Biological Activities ◽  
Natural Antioxidants ◽  
Ethyl Acetate Fraction ◽  
Biological Investigation ◽  
Active Compounds ◽  
Ethanol Extracts ◽  
By Products ◽  
Different Parts

We investigated the antioxidant, anti-lipase and anti-dementia activities of peach ( Prunus persica (L.) Batsch) fruit and its by-products. The ethanol extracts of branch showed relatively high activity in all biological activities. Then, the extract was fractionated, and eight compounds were isolated from the ethyl acetate fraction. Results showed 4,2’,4'-trihydroxy-6'-methoxychalcone 4'- O-β-D-glucopyranoside (5) and quercetin 3- O-β-D-glucopyranoside (7) as newly identified compounds in P. persica. From the biological investigation, it was considered that quercetin 3- O-β-D-glucopyranoside (7) was the main active compound of antioxidant activity. The main active compound of anti-lipase activity in these was oleanolic acid (1). In addition, (+)-4'- O-methylcatechin (4), 4,2’,4'-trihydroxy-6'-methoxychalcone 4'- O-β-D-glucopyranoside (5) and ferulic acid (6) were the main active compounds of anti-dementia activity with acetylcholinesterase inhibitory assay. The results obtained suggested that these active compounds from peach branches of P. persica could be exploited as natural antioxidants, anti-lipase and anti-dementia materials in the future.

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