Benzimidazole Tethered Thioureas as a New Entry to Elastase inhibition and Free Radical Scavenging: Synthesis, Molecular docking, and Enzyme Inhibitory Kinetics

2021 ◽  
Author(s):  
Rabail Ujan ◽  
Pervaiz Ali Channar ◽  
Aamer Saeed ◽  
Qamar Abbas ◽  
Hummera Rafique ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Free Radical ◽  
Radical Scavenging ◽  
Free Radical Scavenging ◽  
New Entry

scholarly journals Preliminary Phytochemical Screening and Bioactive Compounds of Swietenia macrophylla Seed Support T1DM and T2DM

2021 ◽  
Vol 7 (1) ◽  
pp. 267-271
Author(s):  
M. Chandrabalan Kamaraj ◽  
Ramakrishnan Akshaya ◽  
Dandapani Sudhakaran Iyer
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Free Radical ◽  
Radical Scavenging ◽  
Docking Studies ◽  
Free Radical Scavenging ◽  
Seed Extract ◽  
Phytochemical Screening ◽  
Swietenia Macrophylla ◽  
Molecular Docking Studies

The purpose of this study was to investigate the antidiabetic effect of phytocompounds from Swietenia macrophylla seed using preliminary phytochemical screening, invitro antioxidant activity and molecular docking studies. The powdered seed extract of Swietenia macrophylla was to investigate the phytochemical screening exhibited the presence of alkaloid, phenols, tannins, flavonoids, terpenoids, steroids, carbohydrates, amino acids and proteins as major active constituents. The antioxidant activity of Swietenia macrophylla seed was evaluated by DPPH free radical scavenging assay. Rutin was used as a reference compound. The Swietenia macrophylla seed exhibited 56.0471% of free radical scavenging activity as compared with rutin. The molecular docking studies performed by using molecular docking server online respectively in which the antidiabetic target namely glutamine:fructose-6-phosphate amidotransferase (GFAT) (PDB id: 2ZJ3) have a potential interaction with swietenine, swietenolide, β-sitosterol, and fucosterol. In this study, the protein glutamine:fructose-6-phosphate amidotransferase (GFAT) was used from its structure perspectives. Its primary and secondary structures were evaluated using online tools. Its role in antidiabetic was assessed by molecular docking the compounds present in the seed extract of Swietenia macrophylla assayed by GC-MS analysis. This in-silico study demonstrates the interactions of active components of Swietenia macrophylla against Type I and Type II diabetes.

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