Computational analysis and in vitro investigation on Citrus flavonoids for inflammatory, diabetic and AGEs targets

Abstract

Flavonoids are a diverse class of polyphenolic substances largely found in plants including citrus peels and are reported to posess a variety of biological activities. We investigated important flavonoids apigenin, hesperidin, narigin, quercetin and tangeritine against diabetes and associated conditions. In current project drug likeness, ADMET analysis, molecular docking and in vitro assays were performed. The apigenin, quercetin and tanagretin exhibited compliance with Lipinski's rule of five. The molecular docking analysis showed best fit in transcriptional regulator 3TOP and 1IK3 in all tested compounds. During antioxidant assays, all flavonoids presented excellent activities. In the α-glucosidase assay, quercetin showed highest inhibition (76% at final concentration of 52 µg/ml) followed by tangeritin (73% at final concentration of 52 µg/ml). In case of 15-Lox assay, highest inhibition was seen in case of quercetin (75%) followed by apigenin (53%). In the AGEs assay, the quercetin showed 47% inhbition of protein cross link formation preceeded by the tenegretin exhited 37% inhibition. It was therefore concluded that tested flavonoids have significant activities in both in silico and in vitro models that is mainly due to differences in structural features and polar surface area.

Differential Expression of Prophetic Variables of Diagnostic Importance Having Potential Role in the Development of Diabetic Nephropathy

“…The term "oxidative stress" describes the level of oxidation that occurs when the body is exposed to a range of damaging stimuli, causing an imbalance in the body's antioxidant system and tissue damage 15,17,19 . Reactive oxygen species (ROS) generation have been linked in recent years to a number of chronic metabolic disorders, including atherosclerosis and diabetes 14,1622,24 .…”

“…Thiol-containing antioxidant N-acetyl cysteine (NAC), a precursor of glutathione (GSH), protects tissue in vivo by turning it into glutathione (GSH) 13,15,16 . Early studies found that NAC reduced lung injury by preventing neutrophils and vascular endothelial cells from expressing adhesion molecules 7,10,14,15 . Additionally, it entered leukocytes and changed into physiological antioxidants to raise intracellular levels of reduction, causing ROS in cells and media to be inactivated 17,18,23 .…”