Analytical tools for urocanic acid determination in human samples: A review

Lima, Fabiana Vieira; Martins, Tatiane Aparecida; Morocho‐Jácome, Ana Lucía; Almeida, Isabel F.; Rosado, Catarina; Velasco, Maria Valéria Robles; Baby, André Rolim

doi:10.1002/jssc.202000713

Cited by 7 publications

(4 citation statements)

References 50 publications

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“…Isometheptene (ZINC000001683250) is an effective sympathomimetic drug for acute migraine treatment [ 39 ]. Urocanic acid (ZINC000034633903), an imidazole-acrylic acid derivative, has immunosuppressive properties in skin and systemic diseases and plays a part in acidifying the cytosol of tumor cells [ 40 ]. 1-Octanol (ZINC000001532735) has tremor suppression properties, anti-inflammatory, and analgesic effects [ 41 ].…”

Section: Results and Disussionmentioning

confidence: 99%

Identification of Potential Lead Compounds Targeting Novel Druggable Cavity of SARS-CoV-2 Spike Trimer by Molecular Dynamics Simulations

Zhao

Xie

et al. 2023

IJMS

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The global pandemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become an urgent public health problem. Spike (S) protein mediates the fusion between the virus and the host cell membranes, consequently emerging as an important target of drug design. The lack of comparisons of in situ full-length S homotrimer structures in different states hinders understanding the structures and revealing the function, thereby limiting the discovery and development of therapeutic agents. Here, the steady-state structures of the in situ full-length S trimer in closed and open states (Sclosed and Sopen) were modeled with the constraints of density maps, associated with the analysis of the dynamic structural differences. Subsequently, we identified various regions with structure and property differences as potential binding pockets for ligands that promote the formation of inactive trimeric protein complexes. By using virtual screening strategy and a newly defined druggable cavity, five ligands were screened with potential bioactivities. Then molecular dynamic (MD) simulations were performed on apo protein structures and ligand bound complexes to reveal the conformational changes upon ligand binding. Our simulation results revealed that sulforaphane (SFN), which has the best binding affinity, could inhibit the conformational changes of S homotrimer that would occur during the viral membrane fusion. Our results could aid in the understanding of the regulation mechanism of S trimer aggregation and the structure-activity relationship, facilitating the development of potential antiviral agents.

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Section: Results and Disussionmentioning

confidence: 99%

Identification of Potential Lead Compounds Targeting Novel Druggable Cavity of SARS-CoV-2 Spike Trimer by Molecular Dynamics Simulations

Zhao

Xie

et al. 2023

IJMS

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“…In the last years, scarce studies have been conducted to quantify the UCA isomers by HPLC, and they were especially dedicated to investigating skin disorders [12,17,18,20,21]. Through the proposed and adapted ex vivo method, it was possible to determine each of the UCA isomers in subject SC samples by a non-invasive method with a robust analytical tool.…”

Section: Resultsmentioning

confidence: 99%

Effect of an Emollient Emulsion Containing 15.0% of Caprylic/Capric Triglyceride on the Urocanic Acid of the Stratum Corneum

Neto

Balla

Cândido

et al. 2023

Life

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Natural moisturizing factor (NMF) includes several compounds in the stratum corneum (SC), among them, urocanic acid (UCA). Ultraviolet (UV) exposure turns the trans-UCA of the SC into its cis isomer. We investigated the impact of a topical emollient emulsion treatment on the UCA isomers of the SC exposed to artificial UV stress. Aliquots of emollient emulsion were applied in healthy subjects for 2 h on delimited areas of the volar forearm, then, the SC was removed by tape stripping. Tapes were irradiated in a solar simulator chamber and a high performance liquid chromatograph was used to quantify UCA isomers from stripped SC extract. The amount of both UCA isomers were almost twice higher in the SC treated with the emollient emulsion. We also observed that the UV irradiation elevated the amount of the cis/trans UCA ratio on the SC (non-treated and treated), suggesting that the emollient sample was not able to avoid the UCA isomerization. The in vivo tests corroborated with the UCA data obtained ex vivo, since we found an increase in the superficial skin hydration with respective reduction of the TEWL, probably occurring by the occlusion performed by the emollient emulsion containing 15.0% w/w of caprylic/capric triglyceride.

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“…In this context, Confocal Raman Microspectroscopy (CRM) stands out as a method widely used in dermatology 7–18 for analysis of the concentration of skin components and penetration depth of cosmetic formulations in the human stratum corneum (SC) in vivo. CRM is an optical method that allows non‐invasive and non‐destructive analysis of biological samples and the sensitive acquisition of subtle molecular changes occurring in different layers of the skin with semiquantitative insight 19,20 . In recent years, CRM has also been applied for in vivo determination of SC physiological parameters, such as the natural moisturizing factor (NMF) content, lateral organization of intercellular lipids (ICLs), keratin folding properties, water mobility, and its binding states, 17,21 while being suitable for real‐time characterization of molecular conformational changes.…”

Section: Introductionmentioning

confidence: 99%

Topical dexpanthenol effects on physiological parameters of the stratum corneum by Confocal Raman Microspectroscopy

Porto Ferreira,

Silva,

Martin

et al. 2023

Skin Research and Technology

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BackgroundTopical use of dexpanthenol presents well‐established moisturizing properties and maintenance and repair of the skin barrier function, however, its exact action mechanisms are not completely elucidated. In this context, Confocal Raman Microspectroscopy is an optical method that enables non‐invasive and non‐destructive in vivo analysis with the sensitive acquisition of molecular changes in different skin layers. Herein, the aim was to evaluate the effects of topical dexpanthenol on the components and physiological parameters of the stratum corneum (SC).Materials and methodsTen healthy female subjects underwent skin evaluation by means of a Confocal Raman Spectrometer Skin Analyzer 3510. Spectral data were obtained from the skin of the anterior forearm region, before and 2 h after applying a cosmetic formulation containing or not containing 5% dexpanthenol.ResultsSemiquantitative analysis of the natural moisturizing factor showed a significant decrease in content after 2 h of topical dexpanthenol application, while the analysis of the lamellar organization of intercellular lipids and the secondary structure of keratin showed a significant increase in hexagonal organization of lipids at the first half of the SC and a significant increase in β‐pleated sheet conformation of keratin.ConclusionEffects of topical dexpanthenol on SC suggest a contribution in increasing fluidity of both lipidic and protein components of the SC and are compatible with dexpanthenol activity in maintaining adequate physiological conditions and preventing transepidermal water loss. This study also contributes to the elucidation of action mechanisms and other concurrent biochemical processes.

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Analytical tools for urocanic acid determination in human samples: A review

Cited by 7 publications

References 50 publications

Identification of Potential Lead Compounds Targeting Novel Druggable Cavity of SARS-CoV-2 Spike Trimer by Molecular Dynamics Simulations

Identification of Potential Lead Compounds Targeting Novel Druggable Cavity of SARS-CoV-2 Spike Trimer by Molecular Dynamics Simulations

Effect of an Emollient Emulsion Containing 15.0% of Caprylic/Capric Triglyceride on the Urocanic Acid of the Stratum Corneum

Topical dexpanthenol effects on physiological parameters of the stratum corneum by Confocal Raman Microspectroscopy

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