Comparative spasmolytic effect between Cinnamomum tamala and Cinnamomum verum leaf essential oils and eugenol through in vitro and in silico approaches

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Anubhav Chakraborty ◽  
Vishwam Sankaran ◽  
Ramar Murugan ◽  
David Raj Chellappan
Keyword(s):  
Essential Oils ◽  
In Silico ◽  
Pharmacological Action ◽  
Lower Content ◽  
Nicotinic Acetylcholine ◽  
Spasmolytic Activity ◽  
Rat Ileum ◽  
Cinnamomum Tamala ◽  
Isolated Rat

Abstract Cinnamomum tamala and Cinnamomum verum are known for their folk medicinal usage in treating gastrointestinal ailments. The spasmolytic activity of essential oils was studied using isolated rat ileum. The results indicate that C. tamala, despite having a lower content of eugenol (60%), shows a spasmolytic potential of 68.01 ± 2.63% (EC50 = 110.12 ± 13.58 μg/mL) while C. verum with rich eugenol (80%) shows lesser spasmolytic potential (38.96 ± 0.63%) and fails to attain an EC50 value. Upon comparison with standard eugenol’s percentage of spasmolytic (35.68 ± 2.57%), it is evident that the action of these essential oils does not solely rely on the major component but the synergistic role in association with other components of the mixture influences the pharmacological action of the essential oils. In silico docking of phytochemicals of leaf essential oils with M2 (M2AChR) and M3 muscarinic (M3AChR) and nicotinic acetylcholine receptor (nAChR) was carried out to determine the type of receptors through which the essential oils had spasmolytic potential. The binding affinity for eugenol with nAChR shows a better docking score than M2AChR and M3AChR.

scholarly journals Antispasmodic Effect of Blackcurrant (Ribes nigrum L.) Juice and Its Potential Use as Functional Food in Gastrointestinal Disorders

2018 ◽  
Vol 27 (2) ◽  
pp. 179-185 ◽  
Author(s):  
Bojana Miladinovic ◽  
Suzana  Brankovic ◽  
Milica Kostic ◽  
Milica Milutinovic ◽  
Nemanja Kitic ◽  
...  
Keyword(s):  
Functional Food ◽  
Statistical Significance ◽  
Barium Chloride ◽  
Gastrointestinal Disorders ◽  
Spasmolytic Activity ◽  
Rat Ileum ◽  
Antispasmodic Effect ◽  
Spontaneous Contractions ◽  
Isolated Rat

Objective: The purpose of this study was to investigate the relaxative effects of blackcurrant juice on the gastrointestinal smooth muscle in vitro. Materials and Methods: Berries of the blackcurrant cultivar Ometa were used for the preparation of the juice used. The spasmolytic activity of blackcurrant juice was tested on rat ileum isolated from male Wistar rats by monitoring its influence on spontaneous contractions, as well as contractions induced by potassium chloride (KCl), barium chloride (BaCl2), calcium chloride (CaCl2), and acetylcholine (Ach). The results are expressed as the mean ± standard deviation obtained in 6 measurements and statistical significance was determined by the Student t test, with p < 0.05 taken as significant. Results: The blackcurrant cultivar Ometa significantly reduced the frequency and the amplitude of spontaneous contractions (57.94 ± 3.44%) and Ach-induced contractions (42.74 ± 5.36%; p < 0.05) of the isolated rat ileum. Cumulative concentrations (0.01–3 mg/mL) of the Ometa juice also reduced contractions of the isolated rat ileum stimulated by KCl (51.46 ± 6.87%), CaCl2 (57.54 ± 6.47%), and BaCl2 (58.54 ± 10.55%). The inhibitory effects of the juice were proportional to the applied concentration. Conclusion: The antispasmodic effect of Ometa cultivar shows that common gastrointestinal disorders could be treated by the functional food.

scholarly journals Comparative Study on the Essential Oils from Five Wild Egyptian Centaurea Species: Effective Extraction Techniques, Antimicrobial Activity and In-Silico Analyses

Antibiotics ◽  
2021 ◽  
Vol 10 (3) ◽  
pp. 252
Author(s):  
Eman H. Reda ◽  
Zienab T. Abdel Shakour ◽  
Ali M. El-Halawany ◽  
El-Sayeda A. El-Kashoury ◽  
Khaled A. Shams ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Essential Oils ◽  
In Silico ◽  
Folk Medicine ◽  
Principal Component ◽  
Binding Pocket ◽  
Green Technologies ◽  
Sample Classification ◽  
Docking Approach

The genus Centaurea is recognized in folk medicine for anti-inflammatory, anti-itch, antitussive, purgative, astringent, and tonic activities. To study the chemical determinant for antimicrobial activity essential oils (EOs), five Centaurea species were analyzed including: C. scoparia, C. calcitrapa, C. glomerata, C. lipii and C. alexandrina. Conventional hydro-distillation (HD) and microwave-assisted extraction (MAE), as new green technologies, were compared for the extraction of essential oils. GC/MS analysis identified 120 EOs including mostly terpenoid except from C. lipii and C. alexandrina in which nonterpenoids were the major constituents. Major terpenoids included spathulenol, caryophyllene oxide and alloaromadendrene oxide-2. To probe antibacterial activity, potential EO inhibitors of a bacterial type II DNA topoisomerase, DNA gyrase B were screened via an in silico molecular docking approach. Spathulenol and alloaromadendrene oxide-2 possessed the best binding affinity in the ATP- binding pocket of Gyrase B enzyme. Principal component analysis and agglomerative hierarchical clustering were used for sample classification and revealed that sesquiterpenes contributed the most for accessions classification. In vitro antimicrobial activity against Staphylococcus aureus, Escherichia coli and Aspergillus niger for all EOs were also evaluated. EOs from C. lipii, C. glomerata and C. calcitrapa exhibited significant MIC against S. aureus with an MIC value of 31.25 µg/mL.

scholarly journals Antifungal Activity of Plant's Essential Oils against Post Harvest Fungal Disease of Apple Fruit

2019 ◽  
Vol 16 ◽  
pp. 86-100
Author(s):  
Nirjan Oli ◽  
Uday Kumar Singh ◽  
Sanjay Kumar Jha
Keyword(s):  
Antifungal Activity ◽  
Essential Oils ◽  
Apple Fruit ◽  
Pathogenicity Test ◽  
Eucalyptus Citriodora ◽  
Mycelium Growth ◽  
Cinnamomum Tamala ◽  
Postharvest Rot ◽  
Apple Fruits

Bioactive natural compounds are developed as alternatives to synthetic fungicides for the control of rot diseases of apple fruit. The antifungal activity of essential oils exudes from five plants, namely, Cinnamomum tamala, Lantana camara, Ageratina adenophora, Citrus limetta and Eucalyptus citriodora were evaluated in vitro against Colletotrichum gloeosporioides, Fusarium oxysporum and Alternaria alternata causing postharvest rot disease in apple fruits. The pathogens were isolated from infected apple fruits collected from local markets of Kathamandu, Nepal. The essential oils were extracted through hydro-distillation process using Clevenger apparatus. The pathogenicity test was confirmed by inoculating pathogen into healthy apple fruit. The assessment of fungi toxicity was carried out by poison food technique using five different concentrations: 2.5μl/ml, 5μl/ml, 10μl/ml, 20μl/ml and 40μl/ml and controls were set to determine percentage inhibition of mycelial growth to test fungi. Among tested five essential oils, Cinnamomum tamala showed most effective antifungal activity against all three pathogens, which inhibited mycelium growth by 100% at 40 μl/ml concentrations. However, Eucalyptus citriodora showed all three pathogens inhibited mycelium growth by 65.87%, 73.17% and 86.91%, respectively at 40 μl/ml concentration.

The Inhibitory Effect of Three Essential Oils on Candida rugosa Lipase: In Vitro and In Silico Studies

2020 ◽  
Vol 10 (3) ◽  
pp. 208-215 ◽  
Author(s):  
Talia Serseg ◽  
Khedidja Benarous ◽  
Mohamed Yousfi
Keyword(s):  
Molecular Docking ◽  
Essential Oils ◽  
In Silico ◽  
Candida Rugosa ◽  
Inhibitory Effect ◽  
Mentha Piperita ◽  
Inhibition Mechanism ◽  
Syzygium Aromaticum ◽  
In Silico Studies

Background: Essential oils have been used for centuries. EOs are gaining increasing interest because of their acceptance by consumers and their safe status. For the first time, the effect of essential oils on the inhibition of lipases has been investigated in this work. Objective: We aimed in this study to investigate in vitro the inhibitory effects of the three essential oils of most used spices: Peppermint (Mentha piperita L.), cinnamon (Cinnamomum zeylanicum L.) and Cloves (Syzygium aromaticum L. Merr. et Perry) against Candida rugose lipase. In silico studies using molecular docking have been achieved to study the inhibition mechanism of major compounds of EO: menthol, carvacrol, eugenol and cinnamylaldehyde toward CRL. Methods: The inhibitory effect of three essential oils were determined by candida rugosa enzyme and pNP-L as substrate using spectrophotometry. Autodock vina was used for molecular docking with 50 runs. Results: We have found that these essential oils have a strong inhibitory effect with IC50 values 1.09, 1.78 and 1.13 mg/ml compared with Orlistat 0.06 mg/ml. The results show competitive inhibition for the three major compounds Menthol, Carvacrol and Eugenol with uncompetitive inhibition for Cinnamaldehyde. Different repetition ratios of hydrogen bonds and hydrophobic interactions were observed. The saved interactions were with His449, Ser209, Gly123, Gly124 and Phe344 for all molecules. Conclusion: These observations support using and considering essential oils and their major compounds as good sources for design new drugs to treat candidiasis and other diseases related to Lipases.

CISSAMPELOS PAREIRA: PROTEIN-LIGAND DOCKING TO IDENTIFY SUITABLE TARGETS FOR HEPATOCELLULAR CARCINOMA (HCC) BY IN-SILICO TECHNIQUES AND TOOLS

2015 ◽  
Vol 77 (2) ◽  
Author(s):  
B. Samuel Thavamani ◽  
Molly Mathew ◽  
Dhanabal S. Palaniswamy
Keyword(s):  
Hepatocellular Carcinoma ◽  
Growth Factor ◽  
In Silico ◽  
B Cell Lymphoma ◽  
Aurora Kinase ◽  
Pharmacological Action ◽  
Ligand Docking ◽  
Ligand Interaction

Protein-ligand interaction plays a major role in identification of the possible mechanism by which a ligand can bind with the target and exerts the pharmacological action. The present study aims to identify new possible candidates for treating Hepatocellular Carcinoma (HCC) by docking the reported phytochemicals present in Cissampelos pareira with the well known HCC targets using in-silico techniques. Although C. pareira demonstrated in vitro and in vivo anti-heptatocellular carcinoma activities, the mechanism remains uncertain. Selected compounds from C. pareira were docked using GLIDE software with known targets of hepatocellular carcinoma viz. Aurora Kinase, c-Kit, Fibroblast Growth Factor (FGF), Nuclear Factor kappa B (NF-kB), B-cell lymphoma-extra large (Bcl-xL) and Vascular Endothelial Growth Factor (VEGF). Among the compounds docked, pareitropone and pareirubrine B exhibited good hydrogen bonding interactions and binding energy with the targets of HCC taken in the study. Hence these compounds deserve consideration for further studies towards HCC.

scholarly journals Evaluation of antitumor and anti-angiogenic activity of bioactive compounds from Cinnamomum tamala : In vitro , in vivo and in silico approach

2016 ◽  
Vol 104 ◽  
pp. 6-14 ◽  
Author(s):  
Deepavali Thanekar ◽  
Jayesh Dhodi ◽  
Nitin Gawali ◽  
Archana Raju ◽  
Padmini Deshpande ◽  
...  
Keyword(s):  
Bioactive Compounds ◽  
In Silico ◽  
Angiogenic Activity ◽  
Cinnamomum Tamala

scholarly journals Spasmolytic Activity of the Ethanol Extract of Sideritis raeseri spp. raeseri Boiss. & Heldr. on the Isolated Rat Ileum Contractions

2011 ◽  
Vol 14 (5) ◽  
pp. 495-498 ◽  
Author(s):  
Suzana Brankovic ◽  
Dusanka Kitic ◽  
Mirjana Radenkovic ◽  
Slavimir Veljkovic ◽  
Teodora Jankovic ◽  
...  
Keyword(s):  
Ethanol Extract ◽  
Spasmolytic Activity ◽  
Rat Ileum ◽  
Isolated Rat

scholarly journals Effects of nicotinic acetylcholine receptor-activating alkaloids on anxiety-like behavior in zebrafish

2021 ◽  
Author(s):  
Ainhoa Alzualde ◽  
Oihane Jaka ◽  
Diogo A. R. S. Latino ◽  
Omar Alijevic ◽  
Iñaki Iturria ◽  
...  
Keyword(s):  
Acetylcholine Receptor ◽  
Nicotinic Acetylcholine Receptor ◽  
In Silico ◽  
Biological Activities ◽  
Nicotinic Acetylcholine ◽  
Diverse Range ◽  
In Silico Docking ◽  
Docking Model ◽  
Behavioral Paradigm

AbstractAlkaloids are a structurally complex group of natural products that have a diverse range of biological activities and significant therapeutic applications. In this study, we examined the acute, anxiolytic-like effects of nicotinic acetylcholine receptor (nAChR)-activating alkaloids with reported neuropharmacological effects but whose effects on anxiety are less well understood. Because α4β2 nAChRs can regulate anxiety, we first demonstrated the functional activities of alkaloids on these receptors in vitro. Their effects on anxiety-like behavior in zebrafish were then examined using the zebrafish novel tank test (NTT). The NTT is a relatively high-throughput behavioral paradigm that takes advantage of the natural tendency of fish to dive down when stressed or anxious. We report for the first time that cotinine, anatabine, and methylanatabine may suppress this anxiety-driven zebrafish behavior after a single 20-min treatment. Effective concentrations of these alkaloids were well above the concentrations naturally found in plants and the concentrations needed to induce anxiolytic-like effect by nicotine. These alkaloids showed good receptor interactions at the α4β2 nAChR agonist site as demonstrated by in vitro binding and in silico docking model, although somewhat weaker than that for nicotine. Minimal or no significant effect of other compounds may have been due to low bioavailability of these compounds in the brain, which is supported by the in silico prediction of blood–brain barrier permeability. Taken together, our findings indicate that nicotine, although not risk-free, is the most potent anxiolytic-like alkaloid tested in this study, and other natural alkaloids may regulate anxiety as well.

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