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Biocomputational-mediated screening and molecular docking platforms for discovery of coumarin-derived antimelanogenesis agents 香豆素衍生抗黑色素生成药物的生物计算介导筛选和分子对接平台的发现
IF 2.5 4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-22-00087
Jing Lim, L. Gew, Yin-Quan Tang
Background: Hyperpigmentation occurs when excess melanin accumulates in the skin and causes the skin to become darker in color. Pursuing attractive appearance and colorism have promoted the development of the skin whitening market globally. The proteins targeted in this research are tyrosinase-related protein 1, cyclic adenosine monophosphate response element-binding protein, receptor tyrosine kinase, and endothelin receptor type B. Objectives: This study aims to identify the potential of coumarin derivatives as novel effective, safe, and natural antimelanogenesis agents for whitening purposes or therapeutical intention to treat hyperpigmentation disorders. Methods: Four three-dimensional structures of the targeted proteins and 94 ligands were obtained from Protein Data Bank and PubChem, respectively. The ligands were docked against modified targeted proteins to examine the binding affinity and protein-ligand interactions using PyRx and BIOVIA Discovery Studio. The top 13 derivatives were selected for further analysis on the pharmacokinetic properties through SwissADME and pkCSM web servers. A total of eight compounds were further chosen to conduct multiple ligand simultaneous docking (MLSD). Results: Difenacoum is the most potential antimelanogenesis agent due to its strong inhibitory binding affinity in targeted protein models (5M8M, 4TQN, 5X93), but it does not exhibit favorable behavior pharmacokinetic properties. From the in silico pharmacokinetics screening, novobiocin sodium is the most potent derivative due to its relatively appropriate and safer properties. However, none of the ligand pairs investigated in MLSD possesses a synergistic effect on the binding affinity. Conclusion: Our findings identified colladin, farnesiferol C and novobiocin sodium may be promising natural resources for developing antimelanogenesis agents.
背景:当过多的黑色素在皮肤中积累并导致皮肤颜色变深时,就会发生色素沉着。追求漂亮的外表和色彩主义推动了全球美白市场的发展。本研究的目标蛋白是酪氨酸酶相关蛋白1、环腺苷单磷酸反应元件结合蛋白、酪氨酸激酶受体和内皮素受体b型。目的:本研究旨在确定香豆素衍生物作为新型有效、安全、天然的抗黑色素生成药物的潜力,用于美白目的或治疗色素沉着症。方法:分别从Protein Data Bank和PubChem中获取目标蛋白的4个三维结构和94个配体。利用PyRx和BIOVIA Discovery Studio将这些配体与修饰后的靶蛋白对接,检测它们的结合亲和力和蛋白质与配体的相互作用。通过SwissADME和pkCSM网络服务器对前13个衍生物的药代动力学特性进行进一步分析。共选择8个化合物进行多配体同时对接(MLSD)。结果:Difenacoum在靶向蛋白模型(5M8M, 4TQN, 5X93)中具有较强的抑制结合亲和力,是最有潜力的抗黑色素生成药物,但其没有表现出良好的行为药代动力学特性。从计算机药代动力学筛选来看,新生物素钠具有相对合适和安全的性质,是最有效的衍生物。然而,在MLSD研究的配体对中,没有一个对结合亲和力具有协同作用。结论:胶原蛋白、法尼铁酚C和新生物素钠可能是开发抗黑色素生成药物的有前途的天然资源。
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引用次数: 1
Mortality and cause of death in patients with dermatologic diseases: An 11-year record-based observational study 皮肤病患者的死亡率和死亡原因:一项基于记录的11年观察性研究
IF 2.5 4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-22-00134
M. Saber, G. Faghihi, Seyed-Amirmohammad Seyedghafouri, S. Hosseini
Background: Information on the cause of death is critical in guiding decisions on health infrastructure. However, there is a relative paucity of mortality data in patients with dermatologic diseases. Objectives: We aim to assess the overall mortality from dermatological disorders in a third-level university hospital which serves as a dermatology referral center. Methods: A retrospective medical note review of patients with dermatologic diseases who died during an 11-year period (from March 2008 to February 2020) was undertaken. Results: There were 63 death cases out of 2810 admissions for patients with dermatologic diseases (crude mortality 2.24%). The average age was 61.8 years and the male-to-female ratio was 2.3. Cutaneous malignancies (53.96%) were the primary causes of death, followed by drug reactions (23.8%). Among skin cancers, squamous cell carcinoma (SCC; 47.05%) and melanoma (35.29%) were the leading causes of death. Toxic epidermal necrolysis (53.33%) was the leading cause of death among drug reactions. Sepsis (30.74%) was the most common immediate cause of mortality in this series. A large fraction of patients (73%) had significant underlying comorbidities. Conclusion: The principal cause of mortality was cutaneous malignancies (mainly SCC and melanoma) followed by drug reactions. Sepsis was the most common immediate cause of death.
背景:关于死亡原因的信息对于指导有关卫生基础设施的决定至关重要。然而,皮肤病患者的死亡率数据相对缺乏。目的:评估某三级大学医院皮肤科转诊中心皮肤科疾病的总体死亡率。方法:对11年间(2008年3月至2020年2月)死亡的皮肤病患者的病历进行回顾性分析。结果:2810例住院皮肤病患者中死亡63例(粗死亡率2.24%)。平均年龄为61.8岁,男女比例为2.3岁。皮肤恶性肿瘤是主要死亡原因(53.96%),其次是药物反应(23.8%)。在皮肤癌中,鳞状细胞癌(SCC;47.05%)和黑色素瘤(35.29%)是主要死亡原因。中毒性表皮坏死松解(53.33%)是药物反应的主要死亡原因。脓毒症(30.74%)是该系列中最常见的直接死亡原因。很大一部分患者(73%)有明显的潜在合并症。结论:死亡的主要原因是皮肤恶性肿瘤(主要是鳞状细胞癌和黑色素瘤),其次是药物反应。败血症是最常见的直接死亡原因。
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引用次数: 2
Anti-transcription intermediary factor 1-γ neuromyositis: A case report 抗转录中介因子1-γ神经肌炎1例报告
IF 2.5 4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-22-00078
Hui-En Chuo, Hsiao-Yu Li, Wen-Hsiu Wang, Yu-Hung Wu
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引用次数: 0
Dyshidrotic bullous pemphigoid developing after Moderna mRNA-1273 vaccination 现代mRNA-1273疫苗接种后发生的多水性大疱性类天疱疮
IF 2.5 4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-22-00121
T. Hsieh, Jau‐Shiuh Chen, T. Tsai
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引用次数: 1
The emerging role of Artificial Intelligence in diagnosis and clinical analysis of dermatology 人工智能在皮肤科诊断和临床分析中的新兴作用
4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-23-00025
Mingling Chen, Shengzhen Ye
Dermatology, as a highly intuitive clinical discipline, requires dermatologists to apply their own knowledge and clinical experience to make a reasonable diagnosis for various skin diseases. However, the diagnosis results are largely affected by the subjective consciousness of dermatologists, and there is a certain misdiagnosis rate, especially in areas with low medical levels. Therefore, there is an urgent need for more accurate, objective, and efficient auxiliary diagnostic tools to improve the diagnostic level of skin diseases. Facing an increasing number of patients and higher requirements for accurate diagnosis of diseases, Artificial Intelligence (AI) technology has attracted considerable attention in the field of dermatology. As a nonorganism, the computer is not affected by subjective consciousness, emotion, fatigue, and other factors in the recognition process. It helps to improve the efficiency of diagnosis and assists human doctors to provide objective and accurate diagnosis results. This paper systematically summarizes the research progress of AI in the diagnosis and application of skin cancers, acne, rosacea, onychomycosis, psoriasis, vitiligo, atopic dermatitis, and eczema diseases at home and abroad in recent years, hoping to help dermatologists have a deeper understanding of AI.
皮肤科作为一门直观程度较高的临床学科,需要皮肤科医生运用自身的知识和临床经验对各种皮肤病进行合理的诊断。但诊断结果很大程度上受皮肤科医生主观意识的影响,存在一定的误诊率,特别是在医疗水平较低的地区。因此,迫切需要更准确、客观、高效的辅助诊断工具来提高皮肤病的诊断水平。面对越来越多的患者和对疾病准确诊断的更高要求,人工智能(AI)技术在皮肤病学领域引起了相当大的关注。计算机作为一个非有机体,在识别过程中不受主观意识、情感、疲劳等因素的影响。它有助于提高诊断效率,帮助人类医生提供客观准确的诊断结果。本文系统总结了近年来国内外人工智能在皮肤癌、痤疮、酒渣鼻、甲癣、银屑病、白癜风、特应性皮炎、湿疹等疾病的诊断和应用方面的研究进展,希望能帮助皮肤科医生对人工智能有更深入的了解。
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引用次数: 1
HOX transcript antisense intergenic RNA is differentially expressed in hypertrophic scar tissues and regulates the biological function of scar fibroblasts through sponging miR-30a-5p HOX转录反义基因间RNA在增生性瘢痕组织中差异表达,并通过海绵化miR-30a-5p调控瘢痕成纤维细胞的生物学功能
4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-22-00120
Yi Wang, Yong Song, Minjian Chen, Zhenni Wei
Background: The pathogenesis of hypertrophic scars (HS) is complex and unclear. It is of great importance to investigate the formation mechanism of HS at the gene level, find new targets for gene therapy, and establish effective prevention strategies for the formation of HS. Objectives: The study explored the expression pattern of HOX transcript antisense intergenic RNA (HOTAIR) and miR-30a-5p in scar tissues of HS patients and investigated their regulatory role in fibroblast function. Methods: Forty HS patients were recruited, and their scar tissues and adjacent normal skin tissues were collected. Fibroblasts were extracted from these tissues. The quantitative reverse transcription–polymerase chain reaction was used for the mRNA measurement. The CCK-8 and transwell assay were applied for cell proliferation and migration assessment. Luciferase reporter assay was done to verify the target gene of HOTAIR. Results: Elevated HOTAIR and decreased miR-30a-5p were measured in both scar tissues and scar fibroblasts, and their levels were negatively correlated. HOTAIR acted as the sponge of miR-30a-5p. HOTAIR knockdown inhibited fibroblast proliferation, migration, and the expression of collagen synthesis-related proteins (procollagen, alpha-smooth muscle actin, and collagen I), but these functions were abolished by miR-30a-5p downregulation. Conclusion: HS patients owned elevated HOTAIR and decreased miR-30a-5p. HOTAIR knockdown can inhibit the proliferation, migration, and collagen synthesis of scar fibroblasts by negatively regulating the expression of miR-30a-5p.
背景:增生性瘢痕(HS)的发病机制复杂且不清楚。从基因水平研究HS的形成机制,寻找新的基因治疗靶点,建立有效的HS形成预防策略具有重要意义。目的:探讨HOX转录物反义基因间RNA (HOTAIR)和miR-30a-5p在HS患者瘢痕组织中的表达模式,并探讨其在成纤维细胞功能中的调节作用。方法:选取40例HS患者,收集瘢痕组织及邻近正常皮肤组织。从这些组织中提取成纤维细胞。采用定量逆转录-聚合酶链反应测定mRNA。采用CCK-8和transwell法评估细胞增殖和迁移。荧光素酶报告基因实验验证HOTAIR的靶基因。结果:在瘢痕组织和瘢痕成纤维细胞中均检测到HOTAIR升高和miR-30a-5p降低,且两者水平呈负相关。HOTAIR作为miR-30a-5p的海绵。HOTAIR敲低抑制成纤维细胞增殖、迁移和胶原合成相关蛋白(前胶原、α -平滑肌肌动蛋白和胶原I)的表达,但这些功能被miR-30a-5p下调所消除。结论:HS患者HOTAIR升高,miR-30a-5p降低。HOTAIR敲低可通过负调控miR-30a-5p的表达抑制瘢痕成纤维细胞的增殖、迁移和胶原合成。
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引用次数: 1
Breakthrough monkeypox infection in a Taiwanese male with human immunodeficiency virus 6 days after vaccination 接种猴痘疫苗6天后,台湾男性猴痘突破感染人类免疫缺陷病毒
IF 2.5 4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-22-00136
Yuan-Chen Chao, Bor-shen Hu, Connie S Liu, Meng-Sui Lee
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引用次数: 1
Multiple hyperkeratotic white papules in a 6-year-old girl: A rare presentation of granuloma annulare 6岁女童多发角化性白色丘疹:罕见的环形肉芽肿
IF 2.5 4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-22-00159
Yavuz Semiz, Ezgi Aktaş, Sila Aktas, O. Yalçın
{"title":"Multiple hyperkeratotic white papules in a 6-year-old girl: A rare presentation of granuloma annulare","authors":"Yavuz Semiz, Ezgi Aktaş, Sila Aktas, O. Yalçın","doi":"10.4103/ds.ds-d-22-00159","DOIUrl":"https://doi.org/10.4103/ds.ds-d-22-00159","url":null,"abstract":"","PeriodicalId":11107,"journal":{"name":"Dermatologica Sinica","volume":"188 1","pages":"50 - 51"},"PeriodicalIF":2.5,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79438594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Subcutaneous panniculitis-like T-cell lymphoma presenting as an ulcerated plaque: A case report 皮下膜炎样t细胞淋巴瘤表现为溃疡斑块:1例报告
4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-22-00209
PatriciaRelatado Solon, BryanEdgar K. Guevara
{"title":"Subcutaneous panniculitis-like T-cell lymphoma presenting as an ulcerated plaque: A case report","authors":"PatriciaRelatado Solon, BryanEdgar K. Guevara","doi":"10.4103/ds.ds-d-22-00209","DOIUrl":"https://doi.org/10.4103/ds.ds-d-22-00209","url":null,"abstract":"","PeriodicalId":11107,"journal":{"name":"Dermatologica Sinica","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136303331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Successful treatment with everolimus for microcystic lymphangioma of the tongue caused by a somatic PIK3CA mutation 依维莫司成功治疗由体细胞PIK3CA突变引起的舌微囊性淋巴管瘤
IF 2.5 4区 医学 Q2 DERMATOLOGY Pub Date : 2023-01-01 DOI: 10.4103/ds.ds-d-23-00060
Yi-Lu Li, Yi-Han Chang, Cheng-Lin Wu, Hsing-San Yang, Hsin-Yu Huang, Yuan-Ju Lin, J. Hsiao, C. Hsu
{"title":"Successful treatment with everolimus for microcystic lymphangioma of the tongue caused by a somatic PIK3CA mutation","authors":"Yi-Lu Li, Yi-Han Chang, Cheng-Lin Wu, Hsing-San Yang, Hsin-Yu Huang, Yuan-Ju Lin, J. Hsiao, C. Hsu","doi":"10.4103/ds.ds-d-23-00060","DOIUrl":"https://doi.org/10.4103/ds.ds-d-23-00060","url":null,"abstract":"","PeriodicalId":11107,"journal":{"name":"Dermatologica Sinica","volume":"55 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72512936","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Dermatologica Sinica
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