关键词: Tyrosinase drug design molecular docking structure synthetic inhibitors

Mesh : Molecular Structure Molecular Docking Simulation Monophenol Monooxygenase Enzyme Inhibitors / pharmacology chemistry Agaricales Phenols / pharmacology Structure-Activity Relationship

来  源:   DOI:10.1080/07391102.2022.2069157

Abstract:
Safety concerns are the primary consideration to identify and detection of enzyme inhibitors. In this regard, safe and potent tyrosinase inhibitors play important role in enhancing nutritional quality, health promotion and also prevent further damages. The present review focuses on the recent and efficient tyrosinase inhibitors discovered from both synthetic sources and synthesized phenolic compounds, including flavonoid, carvacrol, thymol, cinnamic acid and resorcinol derivatives. The inhibitory activity of these compounds was analyzed according to chemical structure, IC50, Ki and their binding energy. Further, inhibition mechanism and the biological effects of some these inhibitors with potential application in food, agricultural, cosmetic and pharmaceutical industries were briefly discussed. Molecular docking procedure was performed on some derivatives and demonstrated favorable binding affinity with amino acid residues of mushroom tyrosinase (PDB ID: 2Y9X). The information offered showed that the substitution pattern of hydroxyl groups at the phenyl ring is an important factor of tyrosinase inhibitory activity. The results confirmed that understanding structural modification of inhibitors is a key role in finding novel and efficacious tyrosinase inhibitors.Communicated by Ramaswamy H. Sarma.
摘要:
安全性问题是鉴定和检测酶抑制剂的主要考虑因素。在这方面,安全有效的酪氨酸酶抑制剂在提高营养质量方面发挥着重要作用,促进健康,并防止进一步的损害。本综述集中于从合成来源和合成酚类化合物中发现的最新有效的酪氨酸酶抑制剂。包括类黄酮,香芹酚,百里酚,肉桂酸和间苯二酚衍生物。根据化学结构分析了这些化合物的抑制活性,IC50、Ki和它们的结合能。Further,抑制机制和一些具有潜在应用于食品的抑制剂的生物学效应,农业,简要讨论了化妆品和制药行业。对一些衍生物进行了分子对接程序,并证明了与蘑菇酪氨酸酶(PDBID:2Y9X)的氨基酸残基的良好结合亲和力。提供的信息表明,苯环上羟基的取代方式是酪氨酸酶抑制活性的重要因素。结果证实,了解抑制剂的结构修饰是发现新的和有效的酪氨酸酶抑制剂的关键作用。由RamaswamyH.Sarma沟通。
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