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Authors = Kauê Santana da Costa ORCID = 0000-0002-2735-8016

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17 pages, 3328 KiB  
Review
Host-Guest Inclusion Complexes of Natural Products and Nanosystems: Applications in the Development of Repellents
by Gueive Astur Pena, Anna Sylmara da Costa Lopes, Sylvano Heleno Salgado de Morais, Lidiane Diniz do Nascimento, Fábio Rogério Rodrigues dos Santos, Kauê Santana da Costa, Cláudio Nahum Alves and Jerônimo Lameira
Molecules 2022, 27(8), 2519; https://doi.org/10.3390/molecules27082519 - 14 Apr 2022
Cited by 8 | Viewed by 3647
Abstract
Repellents are compounds that prevent direct contact between the hosts and the arthropods that are vectors of diseases. Several studies have described the repellent activities of natural compounds obtained from essential oils. In addition, these chemical constituents have been pointed out as alternatives [...] Read more.
Repellents are compounds that prevent direct contact between the hosts and the arthropods that are vectors of diseases. Several studies have described the repellent activities of natural compounds obtained from essential oils. In addition, these chemical constituents have been pointed out as alternatives to conventional synthetic repellents due to their interesting residual protection and low toxicity to the environment. However, these compounds have been reported with short shelf life, in part, due to their volatile nature. Nanoencapsulation provides protection, stability, conservation, and controlled release for several compounds. Here, we review the most commonly used polymeric/lipid nanosystems applied in the encapsulation of small organic molecules obtained from essential oils that possess repellent activity, and we also explore the theoretical aspects related to the intermolecular interactions, thermal stability, and controlled release of the nanoencapsulated bioactive compounds. Full article
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15 pages, 14772 KiB  
Article
Analysis of Kojic Acid Derivatives as Competitive Inhibitors of Tyrosinase: A Molecular Modeling Approach
by Richelly Cardoso, Renan Valente, Clauber Henrique Souza da Costa, João Lidio da S. Gonçalves Vianez, Kauê Santana da Costa, Fábio Alberto de Molfetta and Cláudio Nahum Alves
Molecules 2021, 26(10), 2875; https://doi.org/10.3390/molecules26102875 - 12 May 2021
Cited by 19 | Viewed by 6391
Abstract
Tyrosinases belong to the functional copper-containing proteins family, and their structure contains two copper atoms, in the active site, which are coordinated by three histidine residues. The biosynthesis of melanin in melanocytes has two stages depending on the actions of the natural substrates [...] Read more.
Tyrosinases belong to the functional copper-containing proteins family, and their structure contains two copper atoms, in the active site, which are coordinated by three histidine residues. The biosynthesis of melanin in melanocytes has two stages depending on the actions of the natural substrates L-DOPA and L-tyrosine. The dysregulation of tyrosinase is involved in skin cancer initiation. In the present study, using molecular modeling tools, we analyzed the inhibition activity of tyrosinase activity using kojic acid (KA) derivatives designed from aromatic aldehydes and malononitrile. All derivatives showed conformational affinity to the enzyme active site, and a favorable distance to chelate the copper ion, which is essential for enzyme function. Molecular dynamics simulations revealed that the derivatives formed promising complexes, presenting stable conformations with deviations between 0.2 and 0.35 Å. In addition, the investigated KA derivatives showed favorable binding free energies. The most stable KA derivatives showed the following binding free energies: −17.65 kcal mol−1 (D6), −18.07 kcal mol−1 (D2), −18.13 (D5) kcal mol−1, and −10.31 kcal mol−1 (D4). Our results suggest that these derivatives could be potent competitive inhibitors of the natural substrates of L-DOPA (−12.84 kcal mol−1) and L-tyrosine (−9.04 kcal mol−1) in melanogenesis. Full article
(This article belongs to the Special Issue Molecular Dynamics Simulations: Advances and Applications)
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13 pages, 1154 KiB  
Article
Drying Effects on Chemical Composition and Antioxidant Activity of Lippia thymoides Essential Oil, a Natural Source of Thymol
by Lidiane Diniz do Nascimento, Sebastião Gomes Silva, Márcia Moraes Cascaes, Kauê Santana da Costa, Pablo Luis Baia Figueiredo, Cristiane Maria Leal Costa, Eloisa Helena de Aguiar Andrade and Lênio José Guerreiro de Faria
Molecules 2021, 26(9), 2621; https://doi.org/10.3390/molecules26092621 - 30 Apr 2021
Cited by 31 | Viewed by 3811
Abstract
Leaves of Lippia thymoides (Verbenaceae) were dried in an oven at 40, 50 and 60 °C and the kinetic of drying and the influence of the drying process on the chemical composition, yield, and DPPH radical scavenging activity of the obtained essential oils [...] Read more.
Leaves of Lippia thymoides (Verbenaceae) were dried in an oven at 40, 50 and 60 °C and the kinetic of drying and the influence of the drying process on the chemical composition, yield, and DPPH radical scavenging activity of the obtained essential oils were evaluated. The composition of the essential oils was determined with gas chromatography-mass spectrometry and gas chromatography-flame ionization detection analyses. The influence of drying on the chemical composition of the essential oils of L. thymoides was evaluated by multivariate analysis, and their antioxidant activity was investigated via the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. The Midilli model was the most appropriate to describe the behavior of drying kinetic data of L. thymoides leaves. Thymol was the major compound for all analyzed conditions; the maximum content was obtained from fresh leaves (62.78 ± 0.63%). The essential oils showed DPPH radical scavenging activity with an average of 73.10 ± 12.08%, and the fresh leaves showed higher inhibition (89.97 ± 0.31%). This is the first study to evaluate the influence of drying on the chemical composition and antioxidant activity of L. thymoides essential oils rich in thymol. Full article
(This article belongs to the Special Issue Essential Oils 2021)
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37 pages, 942 KiB  
Review
Bioactive Natural Compounds and Antioxidant Activity of Essential Oils from Spice Plants: New Findings and Potential Applications
by Lidiane Diniz do Nascimento, Angelo Antônio Barbosa de Moraes, Kauê Santana da Costa, João Marcos Pereira Galúcio, Paulo Sérgio Taube, Cristiane Maria Leal Costa, Jorddy Neves Cruz, Eloisa Helena de Aguiar Andrade and Lênio José Guerreiro de Faria
Biomolecules 2020, 10(7), 988; https://doi.org/10.3390/biom10070988 - 1 Jul 2020
Cited by 352 | Viewed by 23716
Abstract
Spice plants have a great influence on world history. For centuries, different civilizations have used them to condiment the foods of kings and nobles and applied them as embalming preservatives, perfumes, cosmetics, and medicines in different regions of the world. In general, these [...] Read more.
Spice plants have a great influence on world history. For centuries, different civilizations have used them to condiment the foods of kings and nobles and applied them as embalming preservatives, perfumes, cosmetics, and medicines in different regions of the world. In general, these plants have formed the basis of traditional medicine and some of their derived substances have been utilized to treat different human diseases. Essential oils (EOs) obtained from these plants have been also used as therapeutic agents and have shown supportive uses in remedial practices. The discovery and development of bioactive compounds from these natural products, based on their traditional uses, play an important role in developing the scientific evidence of their potential pharmaceutical, cosmetic, and food applications. In the present review, using recent studies, we exhibit a general overview of the main aspects related to the importance of spice plants widely used in traditional medicine: Cinnamomum zeylanicum (true cinnamon), Mentha piperita (peppermint), Ocimum basilicum (basil), Origanum vulgare (oregano), Piper nigrum (black pepper), Rosmarinus officinalis (rosemary), and Thymus vulgaris (thyme); and we discuss new findings of the bioactive compounds obtained from their EOs, their potential applications, as well as their molecular mechanisms of action, focusing on their antioxidant activity. We also exhibit the main in vitro methods applied to determine the antioxidant activities of these natural products. Full article
(This article belongs to the Special Issue Perspectives of Essential Oils)
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