Tyrosinase inhibitory effects of Vinca major and its secondary metabolites: Enzyme kinetics and in silico inhibition model of the metabolites validated by pharmacophore modelling

2019 ◽  
Vol 92 ◽  
pp. 103259
Author(s):  
Suat Sari ◽  
Burak Barut ◽  
Arzu Özel ◽  
Didem Şöhretoğlu
Keyword(s):  
Secondary Metabolites ◽  
Enzyme Kinetics ◽  
In Silico ◽  
Inhibitory Effects ◽  
Pharmacophore Modelling ◽  
Inhibition Model ◽  
Vinca Major

scholarly journals Synthesis, Characterization, and Preliminary In Vitro Cytotoxic Evaluation of a Series of 2-Substituted Benzo [d] [1,3] Azoles

Molecules ◽  
2021 ◽  
Vol 26 (9) ◽  
pp. 2780
Author(s):  
Ozvaldo Linares-Anaya ◽  
Alcives Avila-Sorrosa ◽  
Francisco Díaz-Cedillo ◽  
Luis Ángel Gil-Ruiz ◽  
José Correa-Basurto ◽  
...  
Keyword(s):  
Binding Site ◽  
In Silico ◽  
Cytotoxic Effect ◽  
Human Cancer ◽  
Cytotoxic Activities ◽  
Human Cancer Cell ◽  
Inhibitory Effects ◽  
Reference Drug ◽  
Human Cancer Cell Lines

A series of benzo [d] [1,3] azoles 2-substituted with benzyl- and allyl-sulfanyl groups were synthesized, and their cytotoxic activities were in vitro evaluated against a panel of six human cancer cell lines. The results showed that compounds BTA-1 and BMZ-2 have the best inhibitory effects, compound BMZ-2 being comparable in some cases with the reference drug tamoxifen and exhibiting a low cytotoxic effect against healthy cells. In silico molecular coupling studies at the tamoxifen binding site of ERα and GPER receptors revealed affinity and the possible mode of interaction of both compounds BTA-1 and BMZ-2.

scholarly journals IN SILICO STUDIES OF THE SECONDARY METABOLITES OF SOLANUM TORVUM SW. FOR THEIR ANTIASTHMATIC ACTIVITY

2017 ◽  
Vol 9 (4) ◽  
pp. 38
Author(s):  
Soorya R. ◽  
Dhamodaran P. ◽  
Rajesh Kumar R. ◽  
Duraisamy B.
Keyword(s):  
Methyl Ester ◽  
Secondary Metabolites ◽  
Ethyl Ester ◽  
In Silico ◽  
Methanolic Extract ◽  
Acid Ethyl Ester ◽  
Docking Studies ◽  
Receptor Protein ◽  
Solanum Torvum ◽  
In Silico Studies

Objective: Solanum torvum Sw., Family: Solanaceae, commonly known as Turkey Berry is used by the traditional tribes for the treatment of cold, cough, tuberculosis, hepatotoxicity, cancer, etc. The action of the plant towards the treatment of these diseases has been proven except for asthma. The present study is to prove the antiasthmatic activity of methanolic extract and the secondary metabolites of Solanum torvum Sw using in silico docking studies in compare to reference standard Dexamethasone, a synthetic cortisone derivative.Methods: The GC-MS analysis of the dried methanolic extract of the dried fruits of Solanum torvum Sw. and the total saponin fraction has been carried out to know the important moieties that are responsible for the antiasthmatic activity.Results: The results from the docking studies showed that the compounds Cholesta-5,7,9-(11)-trien-3-ol,4,4-dimethyl, (3á); Lanosta-7,9-(11),20-triene-3α, 18-diol, diacetate and Cholestan-26-oic acid,3,7,12,24-tetrakis (acetyloxy), methyl ester, (3à,5á,7à,12à) were found to have significant scores of-6.8,-6.9 and-6.9 respectively towards Glucocorticoid receptor protein (Gr), (PDB id: 4UDC) which is very similar to the affinity of the standard (-7.1). These compounds passed the drug-likeness test. A modification in the structure can be brought, which makes the compounds more potent. The compounds 9, 12-Octadecadienoic acid, ethyl ester; Hexadecanoic acid, ethyl ester; 9-Octadecenoic acid (Z), methyl ester; Oxacycloheptadec-8-en-2-one, (8Z) have passed the Blood Brain Barrier (BBB) filter of the drug-likeness test.Conclusion: The antiasthmatic activity of the drug may be due to the similarity with the structure of Dexamethasone. Further research can be carried out in order to improve the clinical significance of these extracts and its metabolites.

scholarly journals Investigation of the Inhibitory Effects of Mangrove Leaves and Analysis of Their Active Components on Phaeocystis globosa during Different Stages of Leaf Age

2018 ◽  
Vol 15 (11) ◽  
pp. 2434 ◽  
Author(s):  
Min Zhao ◽  
Han Xiao ◽  
Dong Sun ◽  
Shunshan Duan
Keyword(s):  
Secondary Metabolites ◽  
Harmful Algae ◽  
Marine Ecology ◽  
Phenolic Glycoside ◽  
Aqueous Extracts ◽  
Red Tides ◽  
Inhibitory Effects ◽  
Phaeocystis Globosa ◽  
Biological Remediation ◽  
Young Leaves

The presence of harmful algal blooms (HABs) can cause significant problems to the quality of the water, the marine ecosystems, and the human health, and economy worldwide. Biological remediation can inhibit harmful algal growth efficiently in an environmental-friendly manner. Therefore, the research conducted on biological remediation with regard to the inhibition of HABs is becoming a major focus in marine ecology. To date, no study has been reported with regard to the red tides occurring in mangrove wetlands. Therefore, the present study used two mangrove species, namely Bruguiera gymnorrhiza and Kandelia candel and one harmful algae species Phaeocystis globosa as experimental organisms. The present study determined the inhibitory effects and algae physiology of specific aqueous extracts from mangrove leaves on the viability of harmful algae, and analyzed the main chemical composition of the aqueous extracts by ultra-performance liquid chromatography coupled to high resolution mass spectrometry (UPLC-QTOF-MS). The results indicated that the aqueous extracts from different leaf ages of B. gymnorrhiza and K. candel leaves exhibited apparent inhibitory effects on the growth of P. globosa. The inhibitory effects of B. gymnorrhiza and K. candel leaves aqueous extracts on the growth of P. globosa were in the following order: senescent > mature > young leaves. The levels of the parameters superoxide dismutase (SOD) activity, glutathione (GSH), and malondialdehyde (MDA)content in P. globosa following treatment with B. gymnorrhiza and K. candel leaves aqueous extracts were increased as follows: senescent > mature > young leaves. Simultaneously, the intensity of the ion peaks of the specific secondary metabolites assigned 4 (No.: 4 Rt: 2.83 min), 7 (No.: 7 Rt: 3.14 min), 8 (No.: 8 Rt: 3.24 min), 9 (No.: 9 Rt: 3.82min) and 10 (No.: 10 Rt: 4.10 min) were increased. These metabolites were found in the aqueous extracts from B. gymnorrhiza leaves. The intensities of the ion peaks of the secondary metabolites 7, 8 in the aqueous extracts from the K. candel leaves were also increased. The majority of the substances that inhibited the algae found in the mangrove plants were secondary metabolites. Therefore, we considered that the norsesquiterpenes compounds 4, 8, 9, and 10 and a phenolic glycoside compound 7 were the active constituents in the aqueous extracts of the mangrove leaves responsible for the inhibition of algae growth. This evidence provided theoretical guidance for the development of biological methods to control red tides and for the further use of substances with antiproliferative activity against algae.

scholarly journals Draft Genome Sequence of the Symbiotically Competent Cyanobacterium Nostoc sp. Strain KVJ20

2019 ◽  
Vol 8 (45) ◽  
Author(s):  
Marie-Josée H. Halsør ◽  
Anton Liaimer ◽  
Seila Pandur ◽  
Inger L. U. Ræder ◽  
Arne O. Smalås ◽  
...  
Keyword(s):  
Secondary Metabolites ◽  
Cell Lines ◽  
Cancer Cell ◽  
Genome Sequence ◽  
Draft Genome ◽  
Cancer Cell Lines ◽  
Draft Genome Sequence ◽  
Inhibitory Effects ◽  
Content Type

Nostoc sp. strain KVJ20 was isolated from the symbiotic organs of the liverwort Blasia pusilla. This cyanobacterium has been shown to have broad symbiotic competence, and bacterial extracts have inhibitory effects on cancer cell lines and microbes. An array of genes for the production of secondary metabolites is present.

In silico–based combinatorial pharmacophore modelling and docking studies of GSK-3β and GK inhibitors of Hippophae

2013 ◽  
Vol 38 (4) ◽  
pp. 805-814 ◽  
Author(s):  
Sushil Kumar Middha ◽  
Arvind Kumar Goyal ◽  
Syed Ahmed Faizan ◽  
Nethramurthy Sanghamitra ◽  
Bharat Chandra Basistha ◽  
...  
Keyword(s):  
In Silico ◽  
Docking Studies ◽  
Pharmacophore Modelling ◽  
Gsk 3Β

scholarly journals Diverse Terpenoids and Their Associated Antifungal Properties from Roots of Different Cultivars of Chrysanthemum Morifolium Ramat

Molecules ◽  
2020 ◽  
Vol 25 (9) ◽  
pp. 2083
Author(s):  
Kaige Zhang ◽  
Yifan Jiang ◽  
Hongwei Zhao ◽  
Tobias G. Köllner ◽  
Sumei Chen ◽  
...  
Keyword(s):  
Comparative Analysis ◽  
Secondary Metabolites ◽  
Pathogenic Fungi ◽  
Chrysanthemum Morifolium ◽  
Ornamental Plant ◽  
Inhibitory Effects ◽  
Fresh Weight ◽  
Root Extracts ◽  
Chrysanthemum Morifolium Ramat ◽  
And Function

Roots provide anchorage and enable the absorption of water and micronutrients from the soil for plants. Besides these essential functions, roots are increasingly being recognized as an important organ for the production of diverse secondary metabolites. The goal of this study was to investigate the chemical composition and function of terpenoid secondary metabolites in roots of different cultivars of the popular ornamental plant Chrysanthemum morifolium Ramat. Although C. morifolium is known for rich production of secondary metabolites in its flower heads and leaves, the diversity of secondary metabolites in roots remains poorly characterized. In this study, 12 cultivars of C. morifolium were selected for comparative analysis. From their roots, a total of 20 terpenoids were detected, including four monoterpenes, 15 sesquiterpenes, and one diterpene. The cultivar ‘She Yang Hong Xin Ju’ exhibited the highest concentration of total terpenoids at approximately 730 µg·g−1 fresh weight. Most cultivars contained sesquiterpenes as the predominant terpenoids. Of them, (E)-β-farnesene was detected in all cultivars. Based on their terpenoid composition, the 12 cultivars were planed into four groups. To gain insights into the function of root secondary metabolites, we performed bioassays to assess their effects on growth of three species of pathogenic fungi: Fusarium oxysporum, Magnaporthe oryzae, and Verticillium dahliae. Significant variability in antifungal activity of the root extracts among different cultivars were observed. The cultivar ‘Xiao Huang Ju’ was the only cultivar that had significant inhibitory effects on all three species of fungi. Our study reveals the diversity of terpenoids in roots of C. morifolium and their function as a chemical defense against fungi.

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