In vitro and computational studies of the antioxidant and anti-diabetic properties of Bridelia ferruginea.
Olajumoke Arinola OyebodeOchuko Lucky ErukainureLindiwe ZumaCollins U IbejiNeil Anthony KoorbanallyMd Shahidul IslamPublished in: Journal of biomolecular structure & dynamics (2020)
The leaves, stem and root bark of Bridelia ferruginea were sequentially extracted with solvents of increasing polarity to yield the hexane, ethyl acetate, ethanol and aqueous extracts. In vitro analysis revealed the ability of the extracts to scavenge 1,1-diphenyl-2-picryl-hydrazyl (DPPH), nitric oxide (NO) and hydroxyl radical. They also inhibited the activities of α-glucosidase, α-amylase and lipase enzymes. Gas chromatography-mass spectroscopic (GC-MS) analysis of the extracts revealed the presence of sterols, aromatics, aliphatic acids and esters. The identified compounds were molecularly docked with α-glucosidase, α-amylase and lipase enzymes. All compounds showed good binding affinities with the enzymes studied. The strongest binding affinities were observed for β-amyrin, 4-phenylbenzophenone and lupenone for α-glucosidase, α-amylase and lipase enzymes, respectively. The data suggest antioxidant and antidiabetic potential of the different parts of B. ferruginea, with the leaves having the highest potential. These properties can be explored for development of novel anti-diabetic drugs.Communicated by Ramaswamy H. Sarma.
Keyphrases
- molecular docking
- nitric oxide
- gas chromatography
- ionic liquid
- type diabetes
- oxidative stress
- mass spectrometry
- single cell
- wound healing
- dna binding
- high resolution mass spectrometry
- human health
- big data
- hydrogen peroxide
- molecular dynamics simulations
- binding protein
- risk assessment
- climate change
- machine learning
- drug induced
- deep learning
- solid phase extraction
- transcription factor
- data analysis