scholarly journals In vitro and molecular docking and analysis of isoxazoline derivatives with DPPH

2020 ◽  
Vol 16 (11) ◽  
pp. 807-816
Author(s):  
C Geetha ◽  
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Protein Tyrosine Kinase ◽  
Hydroxylamine Hydrochloride ◽  
Amino Acid Residues ◽  
Docking Analysis ◽  
Hydrogen Bonding Interactions ◽  
Effective Inhibition ◽  
In Vitro Antioxidant Activity

A series of isoxazoline derivatives (4a-i) was synthesized from the reaction of 3-(4-fluorophenyl)-1-phenylprop-2-en-1-one derivatives (4a-i) and hydroxylamine hydrochloride in ethanol at reflux conditions. The compounds were confirmed by spectral (IR, 1H & 13C NMR) and elemental analysis. The compounds were screened for their in vitro antioxidant activity against DPPH. We show that compound #4i has potential antioxidant activity. The Molecular docking analysis of the compound with DPPH shows strong hydrogen bonding interactions with several amino acid residues of the protein tyrosine kinase enzyme structure (PDB ID: 2HCK) for effective inhibition.

scholarly journals In vitro and molecular docking analysis of chalconeimine derivatives with α-glucosidase

2020 ◽  
Vol 16 (11) ◽  
pp. 949-957
Author(s):  
R Asaithambi ◽  
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Docking Analysis ◽  
Molecular Docking Analysis

It is known that α-glucosidase is linked with the antioxidant activity. Therefore, it is of interest to document the in- vitro and molecular docking analysis of chalconeimine derivatives with α-glucosidase (PDB ID: 2ZEO) for further consideration.

In silico molecular docking and in vitro antioxidant activity studies of novel α-aminophosphonates bearing 6-amino-1,3-dimethyl uracil

2020 ◽  
Vol 40 (2) ◽  
pp. 166-172 ◽  
Author(s):  
Rasool Shaik Nayab ◽  
Suresh Maddila ◽  
Murthy Potla Krishna ◽  
Salam J.J. Titinchi ◽  
Basha Shaik Thaslim ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
In Silico ◽  
In Silico Molecular Docking ◽  
In Vitro Antioxidant Activity

scholarly journals Antioxidant and α-Glucosidase Inhibitory Activities of Fisetin

2018 ◽  
Vol 13 (11) ◽  
pp. 1934578X1801301 ◽  
Author(s):  
Yike Yue ◽  
Yongsheng Chen ◽  
Sheng Geng ◽  
Guizhao Liang ◽  
Benguo Liu
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Medicinal Plants ◽  
Hydrogen Bonds ◽  
Competitive Inhibition ◽  
Radical Scavenging ◽  
Docking Analysis ◽  
Inhibitory Activities ◽  
Molecular Docking Analysis

Fisetin is a flavonoid widespread in vegetables, fruits and medicinal plants. The in vitro antioxidant and α-glucosidase inhibitory activities of fisetin were systemically investigated in this study. The DPPH and ABTS radical scavenging performance of fisetin was higher than that of BHA. In the ORAC and PSC assays, fisetin also exhibited strong antioxidant activity. The α-glucosidase inhibitory activity of fisetin (IC50, 9.38±0.35 μg/mL) was significantly superior to that of acarbose (IC50, 1.07±0.15 mg/mL). Its inhibition type was determined to be a mixed competitive and non-competitive inhibition mode. Molecular docking analysis suggested it could exert the α-glucosidase inhibitory role by forming hydrogen bonds with the TRP391, ASP392, ARG428 and ASP568 residues of α-glucosidase.

In vitro antioxidant activity and tannin content of Echium italicum L.

Planta Medica ◽  
2010 ◽  
Vol 76 (12) ◽  
Author(s):  
N Niciforovic ◽  
S Solujic ◽  
V Mihailovic ◽  
D Pavlovic-Muratspahic
Keyword(s):  
Antioxidant Activity ◽  
Tannin Content ◽  
In Vitro Antioxidant Activity

Synthesis, Molecular Docking, in vitro Antiproliferative and Antioxidant Activity of Novel Pyrrolidinyl-Carbazole Derivatives

2018 ◽  
Vol 14 (8) ◽  
Author(s):  
Padmaja Pannala ◽  
Pedavenkatagari Narayana Reddy ◽  
Basireddy V. Subba Reddy ◽  
Sunil Misra ◽  
Koude Dhevendar ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Carbazole Derivatives

Evaluation of Cytotoxic and Tyrosinase Inhibitory Activities of 2-phenoxy(thiomethyl) pyridotriazolopyrimidines: In Vitro and Molecular Docking Studies

2020 ◽  
Vol 20 (14) ◽  
pp. 1714-1721
Author(s):  
Hatem A. Abuelizz ◽  
El Hassane Anouar ◽  
Mohamed Marzouk ◽  
Mizaton H. Hasan ◽  
Siti R. Saleh ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Kojic Acid ◽  
Docking Studies ◽  
Breast Adenocarcinoma ◽  
Amino Acid Residues ◽  
New Class ◽  
Structure Activity ◽  
Tyrosinase Inhibitors ◽  
Mcf 7

Background: The use of tyrosinase has confirmed to be the best means of recognizing safe, effective, and potent tyrosinase inhibitors for whitening skin. Twenty-four 2-phenoxy(thiomethyl)pyridotriazolopyrimidines were synthesized and characterized in our previous studies. Objective: The present work aimed to evaluate their cytotoxicity against HepG2 (hepatocellular carcinoma), A549 (pulmonary adenocarcinoma), MCF-7 (breast adenocarcinoma) and WRL 68 (embryonic liver) cell lines. Methods: MTT assay was employed to investigate the cytotoxicity, and a tyrosinase inhibitor screening kit was used to evaluate the Tyrosinase (TYR) inhibitory activity of the targets. Results: The tested compounds exhibited no considerable cytotoxicity, and nine of them were selected for a tyrosinase inhibitory test. Compounds 2b, 2m, and 5a showed good inhibitory percentages against TYR compared to that of kojic acid (reference substance). Molecular docking was performed to rationalize the Structure-Activity Relationship (SAR) of the target pyridotriazolopyrimidines and analyze the binding between the docked-selected compounds and the amino acid residues in the active site of tyrosinase. Conclusion: The target pyridotriazolopyrimidines were identified as a new class of tyrosinase inhibitors.

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