scholarly journals Synthesis, Antioxidant, Anticholinesterase Activities and Molecular Docking Studies of coumaryl 1,3-selenazoles Derivatives

2020 ◽  
Author(s):  
Nurul Zawani Alias ◽  
Muhd Hanis Md Idris ◽  
Nurhafizoh Abdul Somat ◽  
Norwaziah Mahmud ◽  
Sharizal Hasan ◽  
...  
Keyword(s):  
Active Site ◽  
Antioxidant Activities ◽  
Radical Scavenging ◽  
Cation Radical ◽  
Docking Studies ◽  
Potent Inhibition ◽  
Ic50 Value ◽  
Acetylcholine Level ◽  
Radical Scavenging Assay

Inhibition of acetylcholinesterase (AChE) enzyme is a known procedure to treat severe Alzheimer's disease through increasing the acetylcholine level in the brain and thus slowing down the progression of Alzheimer's symptoms. The approved medications are only considered as palliative and addressed some reported deficiencies. Therefore, the demand for safe and effective compounds is substantially increasing. A newly series of coumaryl 1,3-selenazoles derivatives was synthesized in four steps. Then, their antioxidant activities were evaluated using DPPH, ABTS cation radical scavenging assay and cupric reducing antioxidant capacities (CUPRAC). The anticholinesterase activities were evaluated using the Ellman method. Then, the docking studies were carried out to explain the possible correlation between in vitro anticholinesterase activity results and the ligand-receptor interactions. Ten new coumaryl 1,3-selenazoles (5a-5d series and 6a-6f series) derivatives were successfully synthesized. The DPPH radical scavenging assay showed that all tested compounds have IC50 value > 200 μM, for ABTS cation radical scavenging assay the IC50 value > 1000 μM and for CUPRAC assay the IC50 value > 200 μM. Compound 5c was found to be the most active compound against AChE and BChE in its series with IC50 value for AChE is 99.76 μM and IC50 for BChE is 140.28 μM while 6b exhibited the most potent inhibition in its series with IC50 value for AChE is 56.01 μM and IC50 for BChE is 121.34 μM. Besides, the docking studies showed that compound 5c and 6b formed π-π stacking interaction with aromatic residues at the active site of AChE and BChE, which is responsible for inhibiting the enzymes. This shows that the synthesized compounds contain skeletal structures that can interact and inhibit within the enzymes active site.

Contribution of Resveratrol in the Development of Novel Urease Inhibitors: Synthesis, Biological Evaluation and Molecular Docking Studies

2019 ◽  
Vol 22 (4) ◽  
pp. 245-255 ◽  
Author(s):  
Ritu Kataria ◽  
Anurag Khatkar
Keyword(s):  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Vilsmeier Reaction ◽  
Parent Molecule ◽  
Ic50 Value ◽  
Urease Enzyme ◽  
Protein Pocket

Aims and Objective: A new library of resveratrol derivatives was designed and synthesized in excellent yield via two-step reaction utilizing Vilsmeier reaction as the first step and subsequent addition of substituted aromatic amine in the second step. Methods: Synthesized compounds were investigated for their antioxidant as well as for in vitro inhibition activity against jack bean urease enzyme. Compounds R3b and R4 with IC50 value 18.85±0.15 and 21.60±0.19µM against urease enzyme and 6.01±0.07 and 7.52±0.14µM in vitro- DPPH free radical scavenging activity have emerged as most active molecules from the selected library. Molecular simulation studies were also carried out for determining the interaction detail of newly synthesized compounds within a protein pocket. Results and Conclusion: Newly synthesized compounds were found to possess better docking score (-5.941 to -6.894) and binding energy (-46.854 to -56.455) as compared to the parent resveratrol (-5.45 and -20.155) which revealed that the newly synthesized compounds bind in a better way as compared to the parent molecule

scholarly journals Novel C-2 Symmetric Molecules as α-Glucosidase and α-Amylase Inhibitors: Design, Synthesis, Kinetic Evaluation, Molecular Docking and Pharmacokinetics

Molecules ◽  
2019 ◽  
Vol 24 (8) ◽  
pp. 1511 ◽  
Author(s):  
Danish Shahzad ◽  
Aamer Saeed ◽  
Fayaz Ali Larik ◽  
Pervaiz Ali Channar ◽  
Qamar Abbas ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antioxidant Activities ◽  
Competitive Inhibitor ◽  
Docking Studies ◽  
Design Synthesis ◽  
Kinetic Evaluation ◽  
Ic50 Value ◽  
Amylase Inhibitors ◽  
Burk Plot

A series of symmetrical salicylaldehyde-bishydrazine azo molecules, 5a–5h, have been synthesized, characterized by 1H-NMR and 13C-NMR, and evaluated for their in vitro α-glucosidase and α-amylase inhibitory activities. All the synthesized compounds efficiently inhibited both enzymes. Compound 5g was the most potent derivative in the series, and powerfully inhibited both α-glucosidase and α-amylase. The IC50 of 5g against α-glucosidase was 0.35917 ± 0.0189 µM (standard acarbose IC50 = 6.109 ± 0.329 µM), and the IC50 value of 5g against α-amylase was 0.4379 ± 0.0423 µM (standard acarbose IC50 = 33.178 ± 2.392 µM). The Lineweaver-Burk plot indicated that compound 5g is a competitive inhibitor of α-glucosidase. The binding interactions of the most active analogues were confirmed through molecular docking studies. Docking studies showed that 5g interacts with the residues Trp690, Asp548, Arg425, and Glu426, which form hydrogen bonds to 5g with distances of 2.05, 2.20, 2.10 and 2.18 Å, respectively. All compounds showed high mutagenic and tumorigenic behaviors, and only 5e showed irritant properties. In addition, all the derivatives showed good antioxidant activities. The pharmacokinetic evaluation also revealed promising results

scholarly journals Alpha-glucosidase inhibitory and antioxidant activities of various extracts of aerial parts of Fagonia indica Burm. F.

2021 ◽  
Vol 18 (4) ◽  
pp. 791-797
Author(s):  
Atiq-ur-Rehman ◽  
Abida Latif ◽  
Nasir Abbas ◽  
Imran Waheed ◽  
Atta-ur-Rehman ◽  
...  
Keyword(s):  
Antioxidant Activities ◽  
Scientific Evidence ◽  
Radical Scavenging ◽  
Chloroform Extract ◽  
Traditional Use ◽  
Aerial Parts ◽  
Ic50 Value ◽  
Treatment Of Diabetes ◽  
Alpha Glucosidase

Purpose: To investigate in vitro antioxidant and anti-diabetic potentials of Fagonia indica Burm.f. Var. indica in order to provide scientific evidence for its traditional use. Methods: Cold maceration method was employed for the preparation of extracts of aerial parts of the plant using chloroform, n-hexane, methanol and water as solvents. Total flavonoid and polyphenolic content of various extracts were determined by standard methods. The antioxidant and anti-diabetic activities of the extracts were determined using 1, 1-diphenyl-2-picrylhydrazyl (DPPH) and in vitro αglucosidase (maltase) inhibitory assays, respectively. Results: Preliminary results indicated the presence of various phytochemicals in the extracts. The chloroform extract exhibited the highest contents of total flavonoids (65.98 ± 1.63 mg QE/g) and polyphenols (26.75 ± 1.09 mg GAE/g). This extract also showed the highest free radical scavenging (64.74 ± 1.43 %) with IC50 value of 34.18 ± 5.57 µg/mL while the methanol extract exerted the highest αglucosidase (maltase) inhibitory activity (45.22 ± 0.46 %) with half-maximal concentration (IC50) of 220.4 ± 0.41 µg/mL. Conclusion: The extracts of the aerial parts of Fagonia indica possess significant anti-diabetic and antioxidant effect, thus justifying the traditional use of the plant for treatment of diabetes.

scholarly journals In VitroandIn VivoEvaluation of Polyherbal Formulation against Russell’s Viper and Cobra Venom and Screening of Bioactive Components by Docking Studies

2013 ◽  
Vol 2013 ◽  
pp. 1-12 ◽  
Author(s):  
G. Sakthivel ◽  
Amitabha Dey ◽  
Kh. Nongalleima ◽  
Murthy Chavali ◽  
R. S. Rimal Isaac ◽  
...  
Keyword(s):  
Antioxidant Activities ◽  
Radical Scavenging ◽  
Natural Antioxidants ◽  
Docking Studies ◽  
Cobra Venom ◽  
Type I ◽  
Dependent Manner ◽  
Russell’S Viper ◽  
Dose Dependent

The present study emphasizes to reveal the antivenom activity ofAristolochia bracteolataLam.,Tylophora indica(Burm.f.) Merrill, andLeucas aspera S.which were evaluated against venoms ofDaboia russelli russelli(Russell’s viper) andNaja naja(Indian cobra). The aqueous extracts of leaves and roots of the above-mentioned plants and their polyherbal (1 : 1 : 1) formulation at a dose of 200 mg/kg showed protection against envenomed mice with LD50doses of 0.44 mg/kg and 0.28 mg/kg against Russell’s viper and cobra venom, respectively. Inin vitroantioxidant activities sample extracts showed free radical scavenging effects in dose dependent manner. Computational drug design and docking studies were carried out to predict the neutralizing principles of type I phospholipase A2(PLA2) from Indian common krait venom. This confirmed that aristolochic acid and leucasin can neutralize type I PLA2enzyme. Results suggest that these plants could serve as a source of natural antioxidants and common antidote for snake bite. However, further studies are needed to identify the lead molecule responsible for antidote activity.

scholarly journals In –vitro Antioxidant Activity of Methanolic Extract of the Roots of Bergenia ciliata

2018 ◽  
Vol 1 (4) ◽  
pp. 31-34
Author(s):  
Suman Lal Shrestha ◽  
Suresh Awale ◽  
Surya Kant Kalauni
Keyword(s):  
Antioxidant Activity ◽  
Free Radical ◽  
Methanolic Extract ◽  
Radical Scavenging ◽  
Free Radical Scavenging ◽  
Ic50 Value ◽  
Free Radical Scavenging Assay ◽  
Radical Scavenging Assay ◽  
In Vitro Antioxidant Activity

Bergenia ciliata is an essential medicinal plant used in regions where western medicines are inaccessible due to their unavailability and high cost. The methanolic extract of Bergenia ciliataroots was separated for phytochemical elements and in-vitro antioxidant activity. The plant extract showed the rich outgrowth of secondary metabolites that play the role for biological activities. The higher antioxidant functioning of the plant is due to the occurrence of reactive elements like phenols and flavonoids. The antioxidant functioning of the plant extract was measured by DPPH free radical scavenging assay. In DPPH free radical scavenging assay the IC50 value of Bergenia ciliata was found to be 11.21μg/mL, while the IC50 value of standard ascorbic acid was found to be 45.93μg/mL

scholarly journals PHARMACOGNOSTICAL AND PHARMACOLOGICAL EVALUATION OF CRINUM LATIFOLIUM L.

2018 ◽  
Vol 10 (11) ◽  
pp. 17
Author(s):  
Puspendra Kumar Shukla ◽  
Manish Kumar ◽  
Ankita Misra ◽  
Bhanu Kumar ◽  
Ruchi Dwivedi ◽  
...  
Keyword(s):  
Linoleic Acid ◽  
Oleanolic Acid ◽  
Aerial Part ◽  
Radical Scavenging ◽  
Total Phenolic ◽  
Root Extract ◽  
Aerial Parts ◽  
Ic50 Value ◽  
Radical Scavenging Assay

Objective: Pharmacognostical study along with the development of a quantitative HPTLC method for Crinum latifolium and evaluation of its traditional claims.Methods: Quantification of three marker compounds oleanolic acid, linoleic acid, and lupeol was done through HPTLC. In vitro antioxidant activity was determined by six different models, namely total phenolic and total flavonoid content, DPPH radical scavenging assay, ferric reducing power, antioxidant capacity and hydroxyl radical scavenging assay. In vitro antidiabetic activity was evaluated by α-amylase inhibition assay based on starch iodine and DNS method.Results: The content of oleanolic acid, linoleic acid, and lupeol were found to be higher in aerial parts like 0.015%, 0.048%, and 0.028% respectively, while in root extract 0.006%, 0.027% and 0.025% respectively on a dry weight basis. Free radical scavenging activity was done by DPPH assay, showing the IC50 value of 410±1.105 µg/ml in roots and 441.95±1.788 in aerial parts. In vitro antidiabetic potential of both the parts were assessed by starch iodine color assay and DNS method of alpha-amylase inhibition model. In 3,5 DNS assay, IC50 of extract from aerial parts was 282.21±2.151µg/ml whereas in root extract it was 193.33±2.45µg/ml. Iodine-starch assay of C. latifolium (aerial part) shown the IC50 value of 340.81±0.49 µg/ml and C. latifolium (root) of 74.64±1.28 µg/ml.Conclusion: The results indicate that the aerial parts of the plant possess more antidiabetic potential in comparison to the root. Thus, the aerial part can be used to get better results as a drug and roots can be used as an alternative.

scholarly journals Novel cholinesterase inhibitory effect of α-spinasterol isolated from the leaves of Acacia auriculiformis A. CUNN Ex. Benth (Fabaceae)

2020 ◽  
Vol 19 (7) ◽  
pp. 1473-1479
Author(s):  
Bilqis A. Lawal ◽  
Aniefiok Udobre ◽  
Taiwo O. Elufioye ◽  
Augustine A. Ahmadu ◽  
Bolatito Olanipekun
Keyword(s):  
Ascorbic Acid ◽  
Free Radical ◽  
Antioxidant Activities ◽  
Radical Scavenging ◽  
Inhibitory Effect ◽  
Free Radical Scavenging ◽  
Acacia Auriculiformis ◽  
Ic50 Value ◽  
Potent Inhibitory Effect

Purpose: To investigate the in vitro anticholinesterase, α-glucosidase and antioxidant activities of α-spinasterol isolated from Acacia auriculiformis leaves.Methods: The powdered leaves of Acacia auriculiformis were extracted with 70 % ethanol and the dried hydroalcoholic extract was suspended in water and partitioned with ethyl acetate and n-butanol to give their soluble fractions. The in vitro inhibitory activities of α-spinasterol were determined against cholinesterase and, α-glucosidase enzymes, and free radical scavenging potentials using (1,1-diphenyl-2-picrylhydarzyl (DPPH) and 2,2-azino-bis (3-Ethylbenzothiazoline-6-sulphonic acid (ABTS) antioxidantassays.Results: The compound, α-spinasterol, exhibited moderate anticholinesterase activity (IC50 value of 44.19±2.59 μg/mL which was significantly  different at (p < 0.05) when compared to the standard galanthamine (IC50 value of 1.73 ± 1.10 μg/mL). It also displayed a good α-glucosidase  inhibitory activity with IC``` value of 8.65 ± 1.71μg/mL which was not significantly different when compared to the standard, acarbose with IC50 value of 2.79±0.81 μg/mL. This compound, however, exhibited weak free radical scavenging activities at 26.93 ± 0.00 and 35.16 ±.0.26 % inhibition of DPPH+ and ABTS+ radicals as compared to ascorbic acid and Trolox (73.88 ± 0.04 and 99.82 ± 0.00%) respectively.Conclusion: The results show that α-spinasterol isolated from Acacia auriculiformis exerts potent inhibitory effect against cholinesterase enzyme which might serve as a lead in the search for drugs against Alzheimer disease and diabetes mellitus. Keywords: Acacia auriculiformis, α-Spinasterol, Galanthamine, Acarbose, Trolox, Ascorbic acid

scholarly journals Phytochemical and Antioxidant Activity of the Essential Oils of Satureja briquetii L. from Morocco

2018 ◽  
Vol 10 (02) ◽  
Author(s):  
Zineb Benziane Ouaritini ◽  
Smahane Boukhira ◽  
El houssaine Derwich
Keyword(s):  
Antioxidant Activity ◽  
Essential Oils ◽  
Aerial Part ◽  
Antioxidant Activities ◽  
Radical Scavenging ◽  
Ic50 Value ◽  
Chromatographic Profile ◽  
Fresh Aerial Part ◽  
Dpph Radical Scavenging

Satureja briquetii L. (Labiatae) species are a well-known aromatic plant which is used to produce essential oils and aromatic water in the mountain regions of Sefrou part of Morocco. In our study, it was aimed to determine phytochemical and antioxidant activities of Satureja briquetii L. essential oils in vitro. Antioxidant activities of the oils at differents concentrations were evaluated using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging. The extraction of essential oils from aerial part of this plant is carried out by hydrodistillation, and yields are 1.75% for dry aerial part and 1.05% for fresh aerial part. The analysis of the essential oils of dry aerial part from Satureja briquetii L. by GC/MS identified 57 principles compounds including Spathulenol (9.81%), Verbenone (4.35%), Camphene (3.56%), Himachalene (3,2%) and Cedrene (2,12%). The chromatographic profile of essential oils from fresh aerial part of Satureja briquetii L. has 49 constituents representing 96.25% of the essential oil, where the Menth-8-ene (14.99%), Cymene (4.97%) and Carene (4.97%) are major compounds. The Menth-1,4(8)-diene, (1,06%), Cubenol and Longifolene (3,44%) are in minority. Furthermore, the antioxidant activity of the essential art of Satureja briquetii L. was evaluated by the method of DPPH, and showed a significant efficiency in radical DPPH reducing with an IC50 value of of 31.027 ± 0.586 µg/ml from essential oils of dry aerial and 35.034 ± 0.0432 µg/ml in essential oils from fresh aerial part.

Physiochemical properties and antioxidant potential of Persea Americana seed oil

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Seed Oil ◽  
Antioxidant Activities ◽  
Radical Scavenging ◽  
Reducing Power ◽  
Acid Value ◽  
Persea Americana ◽  
Antioxidant Potential ◽  
Physiochemical Properties ◽  
Physiochemical Parameters ◽  
Ic50 Value

Oil extracted from Persea Americana seed was assayed for its physiochemical properties and antioxidant potential using various standard methods. The oil content of the seed was found to be &lt; 10%. Brownish-red color oil was liquid at room temperature, with specific gravity of 0.91±0.02 g/mL. Other physiochemical parameters determined were; acid value (4.51±0.08 mgKOH/g), %FFA (2.26±0.08), peroxide value (2.40±0.57 mgO2/Kg), ester value (31.26±0.03 mgKOH/g), saponification value (35.76±0.07 mgKOH/g) and iodine value (23.5±0.07). The results of the antioxidant activities of the seed oil showed that the flavonoid content (80.00±1.41 mgQE/g) was ~10 folds higher than the phenolic content (8.27±0.06 mgGAE/g). The DPPH radical scavenging value was found to be 51.54±0.25% with an IC50 value of 4.68±0.02 mg/mL and reducing power with an average absorbance of 0.85±0.01 and an IC50 value of 0.001±0.02 mg/mL. Gallic acid showed better antioxidant activities than the oil studied. The results obtained in this study showed that Persea Americana seed oil has nutritional, industrial as well as medicinal potentials.

Acetylcholinesterase Inhibitory Potential and Antioxidant Activities of Five Cultivars of Rosa Damascena Mill. From Isparta, Turkey

2020 ◽  
Vol 18 (4) ◽  
pp. 354-359
Author(s):  
Shirin Tarbiat ◽  
Azize Simay Türütoğlu ◽  
Merve Ekingen
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Free Radical ◽  
Neurodegenerative Disorder ◽  
Antioxidant Activities ◽  
Radical Scavenging ◽  
Acetylcholinesterase Activity ◽  
Rosa Damascena ◽  
Free Radical Damage

Alzheimer's disease is a neurodegenerative disorder characterized by memory loss and impairment of language. Alzheimer's disease is strongly associated with oxidative stress and impairment in the cholinergic pathway, which results in decreased levels of acetylcholine in certain areas of the brain. Hence, inhibition of acetylcholinesterase activity has been recognized as an acceptable treatment against Alzheimer's disease. Nature provides an array of bioactive compounds, which may protect against free radical damage and inhibit acetylcholinesterase activity. This study compares the in vitro antioxidant and anticholinesterase activities of hydroalcoholic extracts of five cultivars of Rosa Damascena Mill. petals (R. damascena 'Bulgarica', R. damascena 'Faik', R. damascena 'Iranica', R. damascena 'Complex-635' and R. damascena 'Complex-637') from Isparta, Turkey. The antioxidant activities of the hydroalcoholic extracts were tested for ferric ion reduction and DPPH radical scavenging activities. The anti-acetylcholinesterase activity was also evaluated. All rose cultivars showed a high potency for scavenging free radical and inhibiting acetylcholinesterase activity. There was a significant correlation between antioxidant and acetylcholinesterase inhibitory activity. Among cultivars, Complex-635 showed the highest inhibitory effect with an IC50 value of 3.92 µg/mL. Our results suggest that all these extracts may have the potential to treat Alzheimer's disease with Complex-635 showing more promise.

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