Eczema, or atopic dermatitis, is a chronic inflammatory skin condition characterized by a compromised skin barrier, excess production of reactive oxygen species (ROS), and an abnormal immune response involving a complex interaction between cytokines such as IL-4, IL-13, IL-31, and TNF-α. Management of atopic dermatitis with topical corticosteroids and immunomodulators has been the mainstay of treatment for a long time but has several limitations, like causing skin atrophy, local skin reactions, and immunosuppression after long-term use. Therefore, naturally occurring phytochemicals that can provide long-lasting anti-inflammatory effects have gained considerable attention in the last few years for the management of atopic dermatitis. Turmeric (Curcuma longa) is one such plant that is well known for its antioxidant and anti-inflammatory actions and contains three major curcuminoids, namely Curcumin I (curcumin), Curcumin II (demethoxycurcumin), and Curcumin III (bisdemethoxycurcumin).
This review explores the potential therapeutic use of curcuminoids in eczema, using quantum chemical (QC) descriptors obtained from a DFT calculation, rather than focusing solely on their therapeutic use in eczema through biological observations. The descriptors for the molecules will be related to their capacity for scavenging ROS and their anti-inflammatory action.
In this paper, we compared the three curcuminoids in terms of their ability to donate electrons. We found that curcumin was the best at donating electrons, due in part to the extended π-conjugation of its molecules and the two methoxy groups attached to it. Each curcuminoid appears to have unique activity in treating atopic dermatitis and could thus serve as a therapeutic agent for this condition. Lastly, in the licorice analysis, the comparative analysis revealed that licoridin showed the highest stability and membrane permeability. The polarity and aqueous solubility of glycyrol and glycyrin are higher; however, their bioavailability is potentially lower. This study provides a basis for such work in silico, by way of drug design, molecular docking, molecular dynamics simulations, etc., and also for experimental work.
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