Structure-based virtual screening of natural compounds in preventing skin senescence: The role of epigallocatechin gallate in protein kinase C alpha-specific inhibition against UV-induced photoaging.

IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
Heliyon Pub Date : 2024-10-30 eCollection Date: 2024-11-15 DOI:10.1016/j.heliyon.2024.e39933
Cheol Hyeon Cho, Woo-Jin Sim, Nam-Chul Cho, Wonchul Lim, Tae-Gyu Lim
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引用次数: 0

Abstract

This study combines high-throughput screening and virtual molecular docking to identify natural compounds targeting PKC in skin aging. Go 6983, a PKC inhibitor, showed potent suppression of MMP-1 transcription. EGCG was one of the candidates that showed it could significantly lower UVB-induced MMP-1 expression in HaCaT cells, and it had a strong affinity for PKCα. Interestingly, EGCG is exclusively bound to PKCα, not the δ and ζ isoforms. Blocking PKCα did not elevate UVB-induced MMP-1 expression in HaCaT cells. In a model of human skin, EGCG stopped collagen breakdown and changes in epidermal thickness that were caused by UV light from the sun. This suggests that EGCG could be useful in dermatology and drug development. These findings highlight the role of structure-based screening in identifying candidate compounds with applications in the cosmetic, dermatological, preventive health, and pharmaceutical fields.

基于结构虚拟筛选防止皮肤衰老的天然化合物:表没食子儿茶素没食子酸酯在特异性抑制蛋白激酶 C alpha 对抗紫外线引起的光老化中的作用。
这项研究结合了高通量筛选和虚拟分子对接技术,以确定在皮肤老化过程中靶向 PKC 的天然化合物。PKC 抑制剂 Go 6983 能有效抑制 MMP-1 的转录。EGCG是候选化合物之一,它能显著降低UVB诱导的MMP-1在HaCaT细胞中的表达,而且与PKCα有很强的亲和力。有趣的是,EGCG 只与 PKCα 结合,而不是与 δ 和 ζ 异构体结合。阻断 PKCα 不会提高 UVB 诱导的 HaCaT 细胞中 MMP-1 的表达。在人类皮肤模型中,EGCG 阻止了太阳紫外线引起的胶原蛋白分解和表皮厚度变化。这表明 EGCG 可用于皮肤病学和药物开发。这些发现凸显了基于结构的筛选在确定可应用于化妆品、皮肤病、预防保健和制药领域的候选化合物中的作用。
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来源期刊
Heliyon
Heliyon MULTIDISCIPLINARY SCIENCES-
CiteScore
4.50
自引率
2.50%
发文量
2793
期刊介绍: Heliyon is an all-science, open access journal that is part of the Cell Press family. Any paper reporting scientifically accurate and valuable research, which adheres to accepted ethical and scientific publishing standards, will be considered for publication. Our growing team of dedicated section editors, along with our in-house team, handle your paper and manage the publication process end-to-end, giving your research the editorial support it deserves.
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