{"title":"芦丁和桑辣素抗糖尿病相关分子靶点的计算机分析。","authors":"Rout George Kerry, Soumya Ranjan Mahapatra, Sanghamitra Nayak, Hemangini Naik, Kanika Kisku, Bijayananda Panigrahi, Namrata Misra, Sanatan Majhi","doi":"10.1007/s40203-025-00353-1","DOIUrl":null,"url":null,"abstract":"<p><p>Diabetes is one of the oldest diseases known to occur in humans and is regulated by a complex interplay of metabolic, genetic, and environmental factors. Several therapeutic options exist, including medications, exercise, improved health measures, psychological and mental well-being, and amelioration of disparity and depression. Current therapeutic options although are effective, they tends to display side effects that includes significant complications like gastrointestinal discomfort, decreased effectiveness and weight gain. Plant-derived bioactive substances with antidiabetic and/or hypoglycaemic properties have been found to be effective, however, the mechanism of action of the majority of herbs are still being characterized and standardized. However, in the present in-silico prediction for phytocompounds, Rutin (RU) and Morin (MO) revealed them to be more effective than or equal to conventional inhibitors in blocking the enzymes and receptors that contribute to diabetes development. Results of the in-silico investigations have clearly demonstrated the importance of RU and MO in binding diabetic-susceptible enzymes (alpha-amylase, DPP-4, and maltase-glucoamylase) and receptors (GLP-1R, SGLT1 and SGLT2). Additionally, in vitro antidiabetic enzymatic assays demonstrated the possible inhibitory activity of RU and MO against two diabetes-related molecular targets.</p>","PeriodicalId":94038,"journal":{"name":"In silico pharmacology","volume":"13 2","pages":"68"},"PeriodicalIF":0.0000,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12018676/pdf/","citationCount":"0","resultStr":"{\"title\":\"In silico analysis of Rutin and Morin against diabetes-associated molecular targets.\",\"authors\":\"Rout George Kerry, Soumya Ranjan Mahapatra, Sanghamitra Nayak, Hemangini Naik, Kanika Kisku, Bijayananda Panigrahi, Namrata Misra, Sanatan Majhi\",\"doi\":\"10.1007/s40203-025-00353-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Diabetes is one of the oldest diseases known to occur in humans and is regulated by a complex interplay of metabolic, genetic, and environmental factors. Several therapeutic options exist, including medications, exercise, improved health measures, psychological and mental well-being, and amelioration of disparity and depression. Current therapeutic options although are effective, they tends to display side effects that includes significant complications like gastrointestinal discomfort, decreased effectiveness and weight gain. Plant-derived bioactive substances with antidiabetic and/or hypoglycaemic properties have been found to be effective, however, the mechanism of action of the majority of herbs are still being characterized and standardized. However, in the present in-silico prediction for phytocompounds, Rutin (RU) and Morin (MO) revealed them to be more effective than or equal to conventional inhibitors in blocking the enzymes and receptors that contribute to diabetes development. Results of the in-silico investigations have clearly demonstrated the importance of RU and MO in binding diabetic-susceptible enzymes (alpha-amylase, DPP-4, and maltase-glucoamylase) and receptors (GLP-1R, SGLT1 and SGLT2). Additionally, in vitro antidiabetic enzymatic assays demonstrated the possible inhibitory activity of RU and MO against two diabetes-related molecular targets.</p>\",\"PeriodicalId\":94038,\"journal\":{\"name\":\"In silico pharmacology\",\"volume\":\"13 2\",\"pages\":\"68\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-04-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12018676/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"In silico pharmacology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1007/s40203-025-00353-1\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/1/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"In silico pharmacology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1007/s40203-025-00353-1","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/1/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
In silico analysis of Rutin and Morin against diabetes-associated molecular targets.
Diabetes is one of the oldest diseases known to occur in humans and is regulated by a complex interplay of metabolic, genetic, and environmental factors. Several therapeutic options exist, including medications, exercise, improved health measures, psychological and mental well-being, and amelioration of disparity and depression. Current therapeutic options although are effective, they tends to display side effects that includes significant complications like gastrointestinal discomfort, decreased effectiveness and weight gain. Plant-derived bioactive substances with antidiabetic and/or hypoglycaemic properties have been found to be effective, however, the mechanism of action of the majority of herbs are still being characterized and standardized. However, in the present in-silico prediction for phytocompounds, Rutin (RU) and Morin (MO) revealed them to be more effective than or equal to conventional inhibitors in blocking the enzymes and receptors that contribute to diabetes development. Results of the in-silico investigations have clearly demonstrated the importance of RU and MO in binding diabetic-susceptible enzymes (alpha-amylase, DPP-4, and maltase-glucoamylase) and receptors (GLP-1R, SGLT1 and SGLT2). Additionally, in vitro antidiabetic enzymatic assays demonstrated the possible inhibitory activity of RU and MO against two diabetes-related molecular targets.