scholarly journals In silico and in vitro assessment on antidiabetic efficacy of secondary metabolites from Syzygium cumini (L.) Skeels

2016 ◽  
Vol 3 (4) ◽  
pp. 360
Author(s):  
Twinkle Sunder Bansode ◽  
Amit Gupta ◽  
B K Salalkar

India ranks high for prevalence of diabetes and the treatment of diabetes without any side effects is still challenging. Though herbal remedies help reduce the side effect, proper standardization of phytochemical which prove as a bioactive compound, its proper dose and clinical trials are lacking. In our investigation, we studied the binding mechanism of the secondary metabolites of Syzygium cumini, their in vitro antidiabetic activity and the number of phytochemicals present. In silico study revealed that ellagic acid has a potential to modulate the carbohydrate metabolizing enzyme activity showing higher affinity for the enzymes with much lesser binding energy, -4.73 kcal/mol for alpha amylase, -4.87 kcal/mol for beta-glucosidase, -4.79 kcal/mol for glycogen synthase kinase, -4.18 kcal/mol for glucokinase and -4.49 kcal/mol for alpha-glucosidase. In vitro-Alpha amylase inhibitory activity assay showed that ethanol extract has the highest value of percent inhibition (73.33%) as compared to standard drug Acarbose (65.99%). Finally, TLC analysis cleared that ethanol extract contains five compounds one of which may be a bioactive compound, ellagic acid. Further purification and characterization of the ellagic acid is needed.

Author(s):  
Jose Deepa ◽  
N. A. Aleykutty ◽  
Harindran Jyoti

Objective: To investigate the anti-diabetic activity of combined ethanolic extracts (1:1mixture) of dry leaves of Syzygium cumini and Psidium guajava belonging to the family Myrtaceae as well as to compare the anti-diabetic activity of these plants by in vitro methods.Methods: In vitro glucose uptake assay was performed on cultured L6 cell lines (rat myoblast cell line) and estimated the glucose uptake using high sensitivity glucose oxidase kit. In vitro alpha amylase inhibitory assay was performed on porcine alpha amylase and the absorbance was measured at 540 nm using a microplate reader. Acarbose was used as the standard in both the methods.Results: At a concentration of 100µg/ml the percentage glucose uptake by the combined ethanolic extract (1:1 mixture) of Syzygium cumini and Psidium guajava leaves was 43.95 while for acarbose the corresponding value was 51.71. At 100 μg/ml the percentage of glucose uptake by Syzygium cumini and Psidium guajava was 27.62 and 22.17 respectively. The percentage inhibition of alpha amylase by the combined ethanolic extract (1:1 mixture) of Syzygium cumini and Psidium guajava leaves at a concentration of 1000 µg/ml was 36.51 and it was 29.26 for Syzygium cumini and 23.43 for Psidium guajava. For acarbose the percentage inhibition of alpha amylase was 73.82 at the concentration of 1000 µg/ml.Conclusion: The combined extract of the leaves of the plants selected was found to be more effective than individual plant extracts against diabetes. The percentage glucose uptake of the combined extract was found to be closer to that of the standard drug acarbose. On comparison of two plants Syzygium cumini was found to be more active against diabetes than Psidium guajava. As the 1:1 mixture of the ethanolic extract is found to be more active, the combination of the two plants can be used to formulate drugs for treating diabetes.


Author(s):  
Twinkle Bansode ◽  
B.K. Salalkar

Diabetes mellitus is the fifth deadliest disease in the developing countries. Even with all the research and new drugs available, combating diabetes is still challenging. There are successes in finding new cost effective drugs without side effects, even if not perfect. In our investigation we studied binding mechanism of secondary metabolite of T. chebula in silico. It was observed that three compounds out of 16 have a higher binding affinity for the target proteins. Ellagic acid showed highest binding affinity with alpha amylase, beta glucosidase and alpha glucosidase with lesser binding energies -4.5kcal/mol, -5.36kcal/mol and -4.48kcal/mol respectively. Arjungenin has lesser binding energy of 4.77 kcal/mol with glucokinase while luteoline has binding energy of -7.25kcal/mol for enzyme glycogen synthase kinase. These entire compounds interacted with non-covalent interaction. Petroleum ether extract showed the significant alpha amylase inhibitory activity i.e. 51.22% as compared to standard drug (65.99%).TLC analysis revealed the presence of total 9 compounds in different plant extracts one of them might be a lead compound which could be further exploited for the development of novel safer and potent antidiabetic drug.


2020 ◽  
Vol 6 (2) ◽  
pp. 155-169
Author(s):  
Neeraj Panihar ◽  
Neeru Vasudeva ◽  
Sunil Sharma ◽  
Babu Lal Jangir

Background: Fagopyrum esculentum Moench. is a herb consumed as food and has medicinal value. It is a rich source of bioactive nutrients which cure and prevent many ailments. Traditionally, it is used to treat hypertension, diabetes, constipation, cancer etc. Methods and Objective: Present work illustrates morphological, microscopic and physicochemical parameters of Fagopyrum esculentum seeds as per WHO guidelines, in vitro antioxidant activity; assessed by DPPH scavenging method, hydrogen peroxide scavenging assay and β-carotene linoleic acid bleaching method and study of lipid lowering potential of the ethyl acetate and ethanol extract of seeds on normal diet fed Wistar rats. Results: Morphological studies delineated the triangular shape, dark brown colour, 8 mm length and 6 mm width of the seed. The microscopic examination of the transverse section of seed depicted features like testa or pericarp (seed coat), the endosperm, embryo and sclerenchyma cells. Study of physiochemical parameters exhibited 0.3±0.02% of foreign matter and 1.44±0.51% crude fibre content. Total ash, acid insoluble ash and water soluble ash value were 6.7±1.7%, 1.9±0.23% and 3.9± 0.31% respectively. Alcohol soluble and water soluble extractive value came out to be 65.02± 3.21 mg/g and 12.7±1.24 mg/g respectively. Foaming index was less than 100, swelling index was found to be 0.5±0.01 ml/g. Loss on drying was 4.02±1.27%. Phytochemical screening of ethyl acetate and ethanol extract revealed the presence of alkaloids, carbohydrates, phenolic compounds, phytosterols and flavonoids. Trace amount of heavy metals (arsenic, cadmium, lead, mercury) were determined by atomic absorption spectrophotometer. Pesticide residue analysis confirmed the presence of nontoxic pesticides like dimethipin, hymexazol, phenothrin-2, methoprene, triadimenol, prohydrojasmon- 1, jasmolin ii, triademinol, jasmolin i, prohydrojasmone i, cyromazine in both the extracts by gc-ms spectrometer. The ethyl acetate and ethanol extract has shown significant in-vitro antioxidant activities demonstrated by the DPPH method (IC50 = 94.37±2.51 and 216.04±4.39 μg/ml respectively), hydrogen peroxide scavenging assay (IC50 = 83.72±3.72 and 193.47±5.05 µg/ml respectively) and β-carotene bleaching method (IC50 = 100.67±4.01 and 205.39±2.89 µg/ml respectively). Lipid lowering study performed on Wistar rats demonstrated a significant (p<0.001) decrease in serum Total Cholesterol (TC), Triglyceride (TG) and increase in High Density Lipoprotein (HDL) level as compared to normal group. Both the extracts have shown a non significant difference in the level of TG as compared to standard drug atorvastatin, depicting that the efficacy of extracts is at par with that of standard drug atorvastatin. Conclusion: Pharmacognostical study of the plant can be a very good tool for identification as well as authentication of a herb. Moreover, these parameters may be helpful in the development of monograph of the plant. Pharmacological activity confirmed Fagopyrum esculentum Moench. seed to be a good antioxidant and have lipid lowering potential.


Author(s):  
YASSER HUSSEIN EISSA MOHAMMED ◽  
DEEPIKA HS ◽  
FARES HEZAM AL-OSTOOT ◽  
ZABIULLA ◽  
ANILAKUMAR ◽  
...  

Objective: The objective of the study was to in vitro evaluate of hypolipidemic effect of extracts of medicinal Dracaena cinnabari Balf. f. resin. Methods: About 800 g of dry powder of the resin of dracaena cinnabar was taken in a Soxhlet apparatus and subjected for sequential extraction of solvents from non-polar to polar end (hexane, benzene, diethyl ether, dichloromethane, chloroform, ethyl acetate, acetone, ethanol, methanol, and water); the extract samples were kept at 4°C for further assays. All the extracts were subjected to glucose uptake assay. Results: The ethanol extract showed significant (p<0.05) hypolipidemic effect by decreasing the activity of enzyme such as significant reduction in the pancreatic lipase enzyme, malic dehydrogenase enzyme, and glucose-6-phosphate dehydrogenase enzyme with IC50~13, ~13, and ~14, respectively. This results were similar to the standard drug atorvastatin with IC50~12, ~16, and ~17, respectively. Ethanol extract exhibited significant atherogenic index and percentage protection against hyperlipidemia. The potential biological activity of ethanol extract may be attributed to the highest polarity which needs further investigation.


2009 ◽  
Vol 4 (10) ◽  
pp. 1934578X0900401 ◽  
Author(s):  
Claudia A. Simões-Pires ◽  
Sandra Vargas ◽  
Andrew Marston ◽  
Jean-Robert Ioset ◽  
Marçal Q. Paulo ◽  
...  

Bioguided fractionation of Syzygium cumini (Myrtaceae) bark decoction for antiplasmodial activity was performed, leading to the isolation of three known ellagic acid derivatives (ellagic acid, ellagic acid 4-O-α-L-2″-acetylrhamnopyranoside, 3-O-methylellagic acid 3′-O-α-L-rhamnopyranoside), as well as the new derivative 3-O-methylellagic acid 3′-O-β-D-glucopyranoside. Activity investigation was based on the reduction of P. falciparum (PfK1) parasitaemia in vitro and the inhibition of β-hematin formation, a known mechanism of action of some antimalarial drugs. Among the investigated ellagic acid derivatives, only ellagic acid was able to reduce P. falciparum parasitaemia in vitro and inhibit β-hematin formation, suggesting that free hydroxyl groups are necessary for activity within this class of compounds.


2020 ◽  
Vol 3 (4) ◽  
pp. 989-1000
Author(s):  
Mustapha Abdullahi ◽  
Shola Elijah Adeniji

AbstractMolecular docking simulation of thirty-five (35) molecules of N-(2-phenoxy)ethyl imidazo[1,2-a]pyridine-3-carboxamide (IPA) with Mycobacterium tuberculosis target (DNA gyrase) was carried out so as to evaluate their theoretical binding affinities. The chemical structure of the molecules was accurately drawn using ChemDraw Ultra software, then optimized at density functional theory (DFT) using Becke’s three-parameter Lee–Yang–Parr hybrid functional (B3LYP/6-311**) basis set in a vacuum of Spartan 14 software. Subsequently, the docking operation was carried out using PyRx virtual screening software. Molecule 35 (M35) with the highest binding affinity of − 7.2 kcal/mol was selected as the lead molecule for structural modification which led to the development of four (4) newly hypothetical molecules D1, D2, D3 and D4. In addition, the D4 molecule with the highest binding affinity value of − 9.4 kcal/mol formed more H-bond interactions signifying better orientation of the ligand in the binding site compared to M35 and isoniazid standard drug. In-silico ADME and drug-likeness prediction of the molecules showed good pharmacokinetic properties having high gastrointestinal absorption, orally bioavailable, and less toxic. The outcome of the present research strengthens the relevance of these compounds as promising lead candidates for the treatment of multidrug-resistant tuberculosis which could help the medicinal chemists and pharmaceutical professionals in further designing and synthesis of more potent drug candidates. Moreover, the research also encouraged the in vivo and in vitro evaluation study for the proposed designed compounds to validate the computational findings.


2020 ◽  
Vol 23 ◽  
pp. 54-62
Author(s):  
O.O. Amujoyegbe ◽  
M. Idu ◽  
J.M. Agbedahunsi ◽  
G.N. Bazuaye

Sickle cell disorder is a genetic ailment with enormous social and economic burden for patients and caregivers. The most promising management apart from being expensive particularly for poor African people, faces some major incompatibility problems. The patients consequently rely on herbal therapy which could be prepared in single or combination forms to manage the painful episodes and its complications. This present study aimed to formulate polyherbal combination and evaluate three purposively selected plants previously reported for their antisickling activities. The polyherbal products were formulated using both aqueous and 70% ethanol extracts into different combinational ratio with the best in 1:1:1 and evaluated for its antisickling activity. The antisickling activity involved both the inhibitory and reversal effects at varying concentrations from 1.0 mg/ml to 6.0 mg/ml using ciklavit as the positive control. The best inhibitory activity was found in ethanol extract of Piper guineense, Gongronema latifolium and Cymbopogon citratus (PGC) with 70.09 ± 0.67% when compared with the positive control (59.25 ± 0.05%) at 4.0 mg/mg while the reversal ability was 67.87 ± 1.23%. The aqueous extracts of the combinations had activity above 50% with the exception of PGC (2:3:1) which is a little less than 50% (46.67 ± 0.98%) while the highest was 60.02 ± 0.87%. The polyherbal ethanol extract had better effects than the aqueous extract and the standard drug used in this study.


2016 ◽  
Vol 11 (4) ◽  
pp. 878 ◽  
Author(s):  
Sivaperumal Gopalan ◽  
Kannnan Kulanthai ◽  
Gnanavel Sadashivam ◽  
Perumal Pachiappan ◽  
Sowmiya Rajamani ◽  
...  

<p>There is a need to investigate the new sources of antimalarial drugs which are more effective against Plasmodium falciparum. The present study was undertaken to evaluate the in vitro antiplasmodial activity of vasicinone, vasicine and 9-oxo-1, 2, 3, 9-tetrahydropyrrolo [2,1-b]quinazolin-3-yl acetate (VA-1). Vasicinone and vasicine were extracted from the leaves of Justicia adhatoda. The novel compound VA-1 was synthesized from alkaloid the alkaloid vasicine, which was isolated from the ethanol extract of J. adhatoda leaves. Vasicine (IC<sub>50</sub> = 89.8 µg/mL) and vasicinone (IC<sub>50</sub> = 38.9 µg/mL) showed moderate antiplasmodial activity whereas the compound VA-1 ( IC<sub>50</sub>  = 06.0 µg/mL) showed excellent antiplasmodial activity when compared with standard drug chloroquine (IC<sub>50</sub>  = 12.6 µg/mL). The results achieved suggest that both isolated and semi-synthetic compounds may serve as a lead compound to antiplasmodial activity. Further, the compound VA-1 is for the first time reported for antiplasmodial activity with IC<sub>50</sub> value.</p><p><strong>Video Clip:</strong></p><p><a href="https://youtube.com/v/dcQUBU6PuVw">Antiplasmodia activity procedure</a>: 7 min 13 sec</p>


Sign in / Sign up

Export Citation Format

Share Document