{"title":"Boscia coriacea Graells、Grewia erythraea (Schweinf.) Chiov.、Ochradenus baccatus Delile 和 Orthosiphon pallidus Royle ex Benth. 中主要多酚的抗氧化、酶和分子对接酪氨酸酶抑制活性","authors":"Abdirahman Elmi Fourreh, Gokhan Zengin, Mohamed A Said, Ricardo Gil-Ortiz, Capriol Giovanni, Diletta Piatti, Rosella Spina, Samir Chtita, Massimo Ricciutelli, Fatouma Mohamed, Dominique Laurain-Mattar","doi":"10.1002/cbdv.202402498","DOIUrl":null,"url":null,"abstract":"<p><p>Boscia coriacea Graells (BC), Grewia erythraea (Schweinf.) Chiov. (GE), Ochradenus baccatus Delile(OB), and Orthosiphon pallidus Royle ex Benth. (OP) are medicinal plants used in Djibouti. They were evaluated to determine their total phenolic content (TPC), flavonoid content (TFC), and phytochemical profile using HPLC-MS/MS. Additionally, their antioxidant capacity was assessed through five various methods. Enzymatic activities were also measured, focusing on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-amylase, α-glucosidase, and tyrosinase. OP extract had the highest TPC and exhibited the best antioxidant capacity, while OB and BC extracts had the highest TFC. Twenty-seven compounds were identified and quantified by LCMS. GE extract demonstrated the highest AChE activity, while OP extract had the highest BChE activity. BC was most active against α-amylase and α-glucosidase, and only GE and OP extracts showed tyrosinase inhibition Invitro. In silico analysis, the compounds were optimized and docked to the human tyrosinase-related protein 1 using AutoDock Vina, with ADME to evaluate their suitability based on key therapeutic criteria. Chlorogenic, neochlorogenic, gallic acids and quercetin emerged as promising tyrosinase inhibitors. These plants can be a viable source in the prevention and treatment related to tyrosinase enzyme inhibition.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402498"},"PeriodicalIF":2.3000,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Antioxidant, Enzyme and Molecular Docking Tyrosinase Inhibitory Activities of Major Polyphenols in Boscia coriacea Graells, Grewia erythraea (Schweinf.) Chiov., Ochradenus baccatus Delile and, Orthosiphon pallidus Royle ex Benth.\",\"authors\":\"Abdirahman Elmi Fourreh, Gokhan Zengin, Mohamed A Said, Ricardo Gil-Ortiz, Capriol Giovanni, Diletta Piatti, Rosella Spina, Samir Chtita, Massimo Ricciutelli, Fatouma Mohamed, Dominique Laurain-Mattar\",\"doi\":\"10.1002/cbdv.202402498\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Boscia coriacea Graells (BC), Grewia erythraea (Schweinf.) Chiov. (GE), Ochradenus baccatus Delile(OB), and Orthosiphon pallidus Royle ex Benth. (OP) are medicinal plants used in Djibouti. They were evaluated to determine their total phenolic content (TPC), flavonoid content (TFC), and phytochemical profile using HPLC-MS/MS. Additionally, their antioxidant capacity was assessed through five various methods. Enzymatic activities were also measured, focusing on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-amylase, α-glucosidase, and tyrosinase. OP extract had the highest TPC and exhibited the best antioxidant capacity, while OB and BC extracts had the highest TFC. Twenty-seven compounds were identified and quantified by LCMS. GE extract demonstrated the highest AChE activity, while OP extract had the highest BChE activity. BC was most active against α-amylase and α-glucosidase, and only GE and OP extracts showed tyrosinase inhibition Invitro. In silico analysis, the compounds were optimized and docked to the human tyrosinase-related protein 1 using AutoDock Vina, with ADME to evaluate their suitability based on key therapeutic criteria. Chlorogenic, neochlorogenic, gallic acids and quercetin emerged as promising tyrosinase inhibitors. These plants can be a viable source in the prevention and treatment related to tyrosinase enzyme inhibition.</p>\",\"PeriodicalId\":9878,\"journal\":{\"name\":\"Chemistry & Biodiversity\",\"volume\":\" \",\"pages\":\"e202402498\"},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-11-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemistry & Biodiversity\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1002/cbdv.202402498\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry & Biodiversity","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1002/cbdv.202402498","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
引用次数: 0
摘要
Boscia coriacea Graells (BC)、Grewia erythraea (Schweinf.) Chiov. (GE)、Ochradenus baccatus Delile (OB) 和 Orthosiphon pallidus Royle ex Benth. (OP) 是吉布提使用的药用植物。(OP) 是吉布提使用的药用植物。采用 HPLC-MS/MS 对它们进行了评估,以确定其总酚含量(TPC)、类黄酮含量(TFC)和植物化学成分概况。此外,还通过五种不同的方法评估了它们的抗氧化能力。酶活性也进行了测定,重点是乙酰胆碱酯酶(AChE)、丁酰胆碱酯酶(BChE)、α-淀粉酶、α-葡萄糖苷酶和酪氨酸酶。OP 提取物的 TPC 最高,抗氧化能力最强,而 OB 和 BC 提取物的 TFC 最高。通过 LCMS 对 27 种化合物进行了鉴定和定量。GE 提取物的 AChE 活性最高,而 OP 提取物的 BChE 活性最高。BC 对α-淀粉酶和α-葡萄糖苷酶的活性最高,只有 GE 和 OP 提取物对酪氨酸酶有抑制作用。利用 AutoDock Vina 对这些化合物进行了优化,并与人类酪氨酸酶相关蛋白 1 进行了对接。绿原酸、新绿原酸、没食子酸和槲皮素成为有前景的酪氨酸酶抑制剂。这些植物可以成为预防和治疗酪氨酸酶抑制相关疾病的可行来源。
Antioxidant, Enzyme and Molecular Docking Tyrosinase Inhibitory Activities of Major Polyphenols in Boscia coriacea Graells, Grewia erythraea (Schweinf.) Chiov., Ochradenus baccatus Delile and, Orthosiphon pallidus Royle ex Benth.
Boscia coriacea Graells (BC), Grewia erythraea (Schweinf.) Chiov. (GE), Ochradenus baccatus Delile(OB), and Orthosiphon pallidus Royle ex Benth. (OP) are medicinal plants used in Djibouti. They were evaluated to determine their total phenolic content (TPC), flavonoid content (TFC), and phytochemical profile using HPLC-MS/MS. Additionally, their antioxidant capacity was assessed through five various methods. Enzymatic activities were also measured, focusing on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-amylase, α-glucosidase, and tyrosinase. OP extract had the highest TPC and exhibited the best antioxidant capacity, while OB and BC extracts had the highest TFC. Twenty-seven compounds were identified and quantified by LCMS. GE extract demonstrated the highest AChE activity, while OP extract had the highest BChE activity. BC was most active against α-amylase and α-glucosidase, and only GE and OP extracts showed tyrosinase inhibition Invitro. In silico analysis, the compounds were optimized and docked to the human tyrosinase-related protein 1 using AutoDock Vina, with ADME to evaluate their suitability based on key therapeutic criteria. Chlorogenic, neochlorogenic, gallic acids and quercetin emerged as promising tyrosinase inhibitors. These plants can be a viable source in the prevention and treatment related to tyrosinase enzyme inhibition.
期刊介绍:
Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level.
Since 2017, Chemistry & Biodiversity is published in an online-only format.