scholarly journals GC-MS Analysis and In Silico Approaches of Indigofera heterantha Root Oil Chemical Constituents

Compounds ◽  
2021 ◽  
Vol 1 (3) ◽  
pp. 116-124
Author(s):  
Muhammad Aurang Zeb ◽  
Taj Ur Rahman ◽  
Muhammad Sajid ◽  
Weilie Xiao ◽  
Syed Ghulam Musharraf ◽  
...  
Keyword(s):  
Chemical Constituents ◽  
Docking Studies ◽  
Alpha Amylase ◽  
Pharmacological Effects ◽  
Antidiabetic Drug ◽  
Docking Score ◽  
Ms Analysis ◽  
Phytochemical Investigation ◽  
Inhibitory Potential ◽  
Alpha Glucosidase

The phytochemical investigation on Indigofera heterantha root oil resulted in the identification of 121 phytochemicals using GC-MS analysis. These phytochemicals were docked against alpha-amylase, alpha-glucosidase enzymes. The docking results suggested that Hexacosyl acetate (121) possess alpha-amylase inhibitory potential with a docking score of −8.2944994 and the interaction with alpha-glucosidase enzyme was −9.73762512, followed by 9, 12, 15-Octadecatrienoic acid, 2, 3-dihydroxypropyl ester, (Z, Z, Z)-(83) with a docking score of −9.59869957, showed outstanding results in all the stages of the study and may be shown as the most auspicious phytochemical resulting from the docking studies of the new antidiabetic drug. Additionally, Pharmacokinetic and PASS studies revealed their drug-likeness, expected safety upon consumption, and likely pharmacological effects.

Exploration of Diosmin to control diabitis and its complications-an in vitro and in silico approach

2020 ◽  
Vol 16 ◽  
Author(s):  
Kushagra Dubey ◽  
Raghvendra Dubey ◽  
Revathi Gupta ◽  
Arun Gupta
Keyword(s):  
Molecular Docking ◽  
Aldose Reductase ◽  
Inhibitory Activity ◽  
Blood Lipid ◽  
Docking Studies ◽  
Alpha Amylase ◽  
Lipid Lowering ◽  
Molecular Docking Studies ◽  
Alpha Glucosidase

Background: Diosmin is a flavonoid obtained from the citrus fruits of the plants. Diosmin has blood lipid lowering activities, antioxidant activity, enhances venous tone and microcirculation, protects capillaries, mainly by reducing systemic oxidative stress. Objective: The present study demonstrates the potential of Diosmin against the enzymes aldose reductase, α-glucosidase, and α-amylase involved in diabetes and its complications by in vitro evaluation and reverse molecular docking studies. Method: The assay of aldose reductase was performed by using NADPH as starting material and DL-Glyceraldehyde as a substrate. DNS method was used for alpha amylase inhibition and in alpha glucosidase inhibitory activity p-nitrophenyl glucopyranoside (pNPG) was used as substrate. The reverse molecular docking studies was performed by using Molegro software (MVD) with grid resolution of 30 Å. Result: Diosmin shows potent inhibitory effect against aldose reductase (IC50:333.88±0.04 µg/mL), α-glucosidase (IC50:410.3±0.01 µg/mL) and α-amylase (IC50: 404.22±0.02 µg/mL) respectively. The standard drugs shows moderate inhibitory activity for enzymes. The MolDock Score of Diosmin was -224.127 against aldose reductase, -168.17 against α-glucosidase and -176.013 against α-amylase respectively, which was much higher than standard drugs. Conclusion: From the result it was concluded that diosmin was a potentially inhibitor of aldose reductase, alpha amylase and alpha glucosidase enzymes then the standard drugs and it will be helpful in the management of diabetes and its complications. This will also be benevolent to decrease the socio economical burden on the middle class family of the society.

scholarly journals Isolation of Chemical Constituents and Invitro Antidiabetic Activity of Mirabilis Jalapa Flower Extracts

2021 ◽  
pp. 412-419
Author(s):  
Deepth D. Kodical ◽  
Jennifer Fernandes ◽  
Jane Mathew ◽  
K. Deepthi ◽  
K. Vijay Bhaskar
Keyword(s):  
Chemical Constituents ◽  
Ethanol Extract ◽  
Antidiabetic Activity ◽  
Inhibition Assay ◽  
Phytochemical Investigation ◽  
In Vitro Investigation ◽  
Mirabilis Jalapa ◽  
Phytochemical Constituents ◽  
Alpha Glucosidase

Objectives: The present work was designed to investigate the phytochemical and in vitro screening of the flower extracts of Mirabilis jalapa. Materials and Methods: Phytochemical constituents were isolated using column chromatography and characterized of the compounds were carried out using IR, 1H NMR, 13C NMR and mass spectroscopy data. In vitro anti-diabetic activity was evaluated by alpha-amylase inhibition assay and Alpha-glucosidase inhibition assay. Results: Phytochemical investigation of the ethanol extract revealed the presence of a flavonoid Kaempferol and a triterpenoid Lupeol. In vitro investigation indicated that the Mirabilis jalapa flowers extracts has considerable anti-diabetic activity Conclusion: The anti-diabetic activity may due to the presence of phytoconstituents like flavonoids, triterpenoids, steroids.

scholarly journals Synthesis, In-vitro Antioxidant, Anti-diabetic Evaluation and Docking Studies of Newly Synthesized Benzoxazole Derivatives

2021 ◽  
Vol 18 (21) ◽  
pp. 35
Author(s):  
Manuel Rodrigues ◽  
Basavaraju Bennehalli ◽  
Vagdevi Hosadu Manjappaiah ◽  
Shruthi Anantha
Keyword(s):  
In Silico ◽  
Reducing Power ◽  
Docking Studies ◽  
Alpha Amylase ◽  
Dpph Assay ◽  
Analytical Instruments ◽  
In Silico Studies ◽  
Total Antioxidant ◽  
Alpha Glucosidase

In the present study, a set of different benzoxazole derivatives has been synthesized from ethyl acetoacetate, ethoxymethylene malononitrile, NaNO2, and organic acids. Analytical instruments like proton NMR (1H), carbon NMR (13C), infrared spectroscopy (IR), and LC-MS mass spectrometry were used for structural characterization. Synthesized molecules were evaluated for In-vitro antioxidant property (DPPH assay, Total antioxidant & reducing power method) and anti-diabetic property (alpha-amylase & alpha-glucosidase assay). In silico, studies against Human pancreatic alpha-amylase (PDB ID: 3BAW) have been carried out to get the binding approach of the ligand towards the protein. The results demonstrated that compounds namely 5b, 6b, 3b and 4b had potent antioxidant and anti-diabetic activity compared with ascorbic acid and acarbose. HIGHLIGHTS Anti-oxidant (DPPH assay, Total antioxidant and Reducing power) and Anti-diabetic (alpha-amylase & alpha-glucosidase assay) activities performed for synthesized molecules Sulfonamide substitutions are more potent towards biological activities In silico docking studies correlate with in vitro studies The small three-dimensional, stable structure and its ability to form hydrogen bonding the molecules show good activity towards antioxidant and anti-diabetic GRAPHICAL ABSTRACT

scholarly journals MOLECULAR DOCKING STUDIES OF ISOLATED COMPOUNDS ANDROGRAPHOLIDE AND BETULIN FROM METHANOLIC LEAVES EXTRACT OF ANDROGRAPHIS ECHIOIDES AS ALPHA-AMYLASE AND ALPHA-GLUCOSIDASE ACTIVATORS

2021 ◽  
pp. 121-129
Author(s):  
S. GURUPRIYA ◽  
L. CATHRINE
Keyword(s):  
Inhibitory Activity ◽  
In Silico ◽  
Structural Parameters ◽  
Docking Studies ◽  
Alpha Amylase ◽  
In Silico Docking ◽  
Lamarckian Genetic Algorithm ◽  
First Time ◽  
Recent Version ◽  
Alpha Glucosidase

Objective: The purpose of this study is to isolate and characterize the andrographolide and betulin from methanolic leaves extract of Andrographis echioides and also used to evaluate the alpha-amylase and alpha-glucosidase inhibitory activity of isolated compounds using in silico docking studies. Methods: The isolation was done using column chromatography using gradient mobile phase. Structural elucidation was carried out on the basis of spectral analysis. In this view, andrographolide and betulin were prepared for the docking evaluation. In silico docking studies were carried out using a recent version of Auto Dock 4.2, which has the basic principle of Lamarckian genetic algorithm. Results: On the basis of the spectral data, the compounds have been established as andrographolide and betulin are being reported from this plant for the first time. The result showed that the andrographolide showed a binding affinity for amylase: (-7.9 kcal/mol) and for glucosidase (-7.2 kcal/mol) while betulin showed (-8.6 kcal/mol) and (-5.2 kcal/mol), respectively. Conclusion: Therefore, it is suggested that isolated compounds andrographolide and betulin contributed excellent α-amylase and α-glucosidase inhibitory activity because of its structural parameters. Thus, these isolated compounds can be effectively used as drugs for treating diabetes which is predicted on the basis of docking scores.

EVALUATION OF IN VITRO ALPHA-AMYLASE AND ALPHA-GLUCOSIDASE INHIBITORY POTENTIAL OF ROOTS OF EUPHORBIA HIRTA LINN.

2020 ◽  
Vol 7 (8) ◽  
pp. 18-23
Keyword(s):  
Inhibitory Effect ◽  
Alpha Amylase ◽  
Root Extract ◽  
Alcoholic Extract ◽  
Traditional Use ◽  
Euphorbia Hirta ◽  
Vitro Model ◽  
Inhibitory Potential ◽  
Alpha Glucosidase

Aim: The present study was designed to investigate the in vitro inhibitory potential of Euphorbia hirta root extract on alpha-amylase and alpha glucosidase enzymes. Materials and Methods: Alcoholic extract of Euphorbia hirta was subjected to inhibitory effect of alpha-amylase and alpha-glucosidase using specific standard in vitro procedure. Results: The results revealed that extract successfully inhibited the activity of both enzymes in an in vitro model. The alcoholic root extract of Euphorbia hirta inhibited the alpha amylase and alpha glucosidase enzymes as 79.73 ± 0.18% and 81.35 ± 0.12% respectively. Conclusion: The present study showed that, the alcoholic extract showed a significant inhibitory effect on alpha amylase and alpha glucosidase enzymes, thus validating the traditional use of the plant.

scholarly journals Chemical constituents of Piptadenia gonoacantha (Mart.) J.F. Macbr (pau jacaré)

2010 ◽  
Vol 82 (3) ◽  
pp. 561-567 ◽  
Author(s):  
Mário G. de Carvalho ◽  
Maritza A.R. Cardozo ◽  
Francisco E.A. Catunda Junior ◽  
Acácio G. de Carvalho
Keyword(s):  
Spectral Analysis ◽  
Chemical Constituents ◽  
Methyl Gallate ◽  
Ms Analysis ◽  
Phytochemical Investigation ◽  
First Time

The phytochemical investigation of Piptadenia gonoacantha (Mart.) J.F. Macbr. (Leguminosae-Mimosoideae), commonly known as "pau jacaré" (alligator stick), afforded sitosterol, campesterol, stigmasterol, the N-benzoylphenylalanine-2-benzoylamide-3-phenylpropyl ester, known as asperphenamate, sitosterol-3-O-β-D-glucopyranoside, besides three flavonoids, apigenin, 5-O-methylapigenin and 7,4'-dihydroxy-3',5-dimethoxyflavone from its branches. From its leaves, the methyl gallate and two flavonoids, vitexin and isovitexin, were isolated. From its bark, a mixture of sitosterol, campesterol, and stigmasterol, besides a mixture of cycloartenone, cycloartan-25-en-3-one, and 24-methylene-cycloartenone, and the pure triterpenes 24-methylenecycloartanol, friedelin, lupeol and lupenone, were isolated. Their structures were established on the basis of spectral analysis, comparison with literature data and GC-MS analysis of the mixtures. The ester, flavonoids and the cycloartanes are been identified for first time in the genus Piptadenia.

scholarly journals MEDICINAL VALUE OF LAGERSTROEMIA SPECIOSA: AN UPDATED REVIEW

2019 ◽  
pp. 18-26
Author(s):  
ALI ESMAIL AL-SNAFI
Keyword(s):  
Amino Acids ◽  
Reducing Sugars ◽  
Chemical Constituents ◽  
Therapeutic Effects ◽  
Pharmacological Effects ◽  
Active Metabolites ◽  
Lagerstroemia Speciosa ◽  
Current Review ◽  
Medicinal Value ◽  
Phytochemical Investigation

Lagerstroemia speciosa (Family: Lythraceae) is native to Asia-tropical and subtropical regions. The phytochemical investigation of Lagerstroemia speciosa leaf and fruit revealed that it contained steroids, terpenoids, glycosides, phenolic compounds, α-amino acids, saponins, starch, alkaloids, carbohydrates, organic acids, flavonoids, reducing sugars, tannins and many other active metabolites. Lagerstroemia speciosa possessed many Pharmacological effects included antimicrobial, antioxidant, anticancer, antidiabetic, hypolipidemic, antiobesity, anti-inflammatory, analgesic, gastrointestinal, diuretic, thrombolytic, cardiovascular, central nervous, inhibition of TNFα production, xanthine oxidase inhibitition, hepatoprotective and nephroprotective effects. The current review discussed the chemical constituents, pharmacological and therapeutic effects of Lagerstroemia speciosa.

scholarly journals Phytochemical screening and in vitro evaluation of alpha amylase, alpha glucosidase and beta galactosidase inhibition by aqueous and organic Atractylis gummifera L. extracts

2018 ◽  
Vol 5 (3) ◽  
pp. 103-112 ◽  
Author(s):  
Khadija Bouabid ◽  
Fatima Lamchouri ◽  
Hamid Toufik ◽  
Karima Sayah ◽  
Yahia Cherrah ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Alpha Amylase ◽  
Phytochemical Screening ◽  
Phytochemical Study ◽  
Organic Extracts ◽  
Ic50 Values ◽  
Inhibitory Potential ◽  
Alpha Glucosidase ◽  
Beta Galactosidase

Diabetes is a chronic condition which is increasingly progressing throughout the world. To treat it, several methods are used, among which is medicinal plants that still have an unknown mechanism of action. The objective of this work is to evaluate the in vitro hypoglycemic effect of the extracts of the underground part of Atractylis gummifera, a member of Asteraceae used in traditional Moroccan medicine. A phytochemical study of the aqueous extracts (decocted, infused and macerated) and organic extracts (methanol, methanol macerate, chloroformic, ethyl acetate and petroleum ether), and a phytochemical screening of the different secondary metabolites was done. The antidiabetic power of the extracts of A. gummifera by testing the inhibitory activity of ?-amylase, ?-glucosidase and ?-galactosidase, which are enzymes responsible for the digestion of polysaccharides was determined. The extracts of A. gummifera are very rich in flavonoids and tannins, and are inhibitory to?-amylase and ?-glucosidase, mainly the macerate of methanol with IC50 values of 0.557 ± 0.013 and 0.743 ± 0.017 mg / mL respectively. Higher ?-galactosidase inhibitory potential than quercetin was observed for aqueous macerates and methanol with IC50 values of 2.23 ± 0.012 and 2.443 ± 0.071 mg / mL respectively. The extracts of A. gummifera possess a significant inhibitory activity of the alpha amylase and alpha glucosidase and beta-galactosidase enzymes, in particular the macerate of methanol followed by the aqueous macerate, among the eight extracts tested.

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