{"title":"巨茶树提取物抗炎抗关节炎作用的分子对接研究","authors":"Satish Kumar, Pratima Srivastava, Somdutt Mujwar, Vinod Gauttam, Sumeet Gupta","doi":"10.2174/1573409920666230817142114","DOIUrl":null,"url":null,"abstract":"<p><p>Background Mucuna giganteais a traditional plant reported in the management of nervous disorders, male infertility, etc., and also exhibits aphrodisiac, anti-oxidant, and anti-diabetic properties. Very few studies are conducted on Mucuna gigantea. It has not been pharmacologically evaluated for rheumatoid arthritis (RA). In RA, the body's natural defence mechanism gets confused and begins to target the healthy tissues in the body, which leads to joint pain, swelling, bone erosion, and joint stiffness. It is a condition that is classified as an auto-immune disorder. Methods In-silico docking depicted that beta-sitosterol is present in Mucuna gigantea out of ligand library prepared based on a literature survey using computational analysis. Inflammation was induced by carrageen and chronic inflammation was induced by Freund's complete adjuvant in the plantar surface of the rats. The petroleum ether, ethanolic and aqueous extracts in three divided doses (75, 150, and 300 mg/kg) were administered orally. Diclofenac sodium (10 mg/kg), prednisolone (5 mg/kg), and methotrexate (0.5 mg/kg) were used as standard. The statistical significance between means was analyzed using one-way ANOVA, followed by Dunnett's multiple range test. The values are expressed as mean ± SD for each group (n=6), and aP<0.0001, bP<0.001, and cP<0.05 were compared with a negative control group. Results Ethanolic and petroleum ether extracts showed a statistically significant aP<0.0001 effect at 3hr with 300mg/kg effect in analgesic activity, whereas aqueous extracts showed statistically significant aP<0.0001 effect at 1.5hr with 150 and 300mg/kg. In the carrageen-induced model, all three extracts at 300 mg/kg showed a statistically significant aP<0.0001 effect from 2- 4hr. In Freund's adjuvant model, all three extracts at all doses showed a statistically significant aP<0.0001 effect. Also, Mucuna gigantea remarkably ameliorated altered WBCs, rheumatoid factor, and positively modified radiographic and histopathological changes. Conclusion Taken together, these results support the traditional use of Mucuna gigantea as a potent anti-inflammatory and anti-arthritic agent that may be proposed for rheumatoid arthritis treatment.</p>","PeriodicalId":10886,"journal":{"name":"Current computer-aided drug design","volume":" ","pages":""},"PeriodicalIF":1.5000,"publicationDate":"2023-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Anti-inflammatory and Anti-arthritic Properties of Mucuna gigantea Plant Extracts: Establishing by Molecular Docking Study.\",\"authors\":\"Satish Kumar, Pratima Srivastava, Somdutt Mujwar, Vinod Gauttam, Sumeet Gupta\",\"doi\":\"10.2174/1573409920666230817142114\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Background Mucuna giganteais a traditional plant reported in the management of nervous disorders, male infertility, etc., and also exhibits aphrodisiac, anti-oxidant, and anti-diabetic properties. Very few studies are conducted on Mucuna gigantea. It has not been pharmacologically evaluated for rheumatoid arthritis (RA). In RA, the body's natural defence mechanism gets confused and begins to target the healthy tissues in the body, which leads to joint pain, swelling, bone erosion, and joint stiffness. It is a condition that is classified as an auto-immune disorder. Methods In-silico docking depicted that beta-sitosterol is present in Mucuna gigantea out of ligand library prepared based on a literature survey using computational analysis. Inflammation was induced by carrageen and chronic inflammation was induced by Freund's complete adjuvant in the plantar surface of the rats. The petroleum ether, ethanolic and aqueous extracts in three divided doses (75, 150, and 300 mg/kg) were administered orally. Diclofenac sodium (10 mg/kg), prednisolone (5 mg/kg), and methotrexate (0.5 mg/kg) were used as standard. The statistical significance between means was analyzed using one-way ANOVA, followed by Dunnett's multiple range test. The values are expressed as mean ± SD for each group (n=6), and aP<0.0001, bP<0.001, and cP<0.05 were compared with a negative control group. Results Ethanolic and petroleum ether extracts showed a statistically significant aP<0.0001 effect at 3hr with 300mg/kg effect in analgesic activity, whereas aqueous extracts showed statistically significant aP<0.0001 effect at 1.5hr with 150 and 300mg/kg. In the carrageen-induced model, all three extracts at 300 mg/kg showed a statistically significant aP<0.0001 effect from 2- 4hr. In Freund's adjuvant model, all three extracts at all doses showed a statistically significant aP<0.0001 effect. Also, Mucuna gigantea remarkably ameliorated altered WBCs, rheumatoid factor, and positively modified radiographic and histopathological changes. Conclusion Taken together, these results support the traditional use of Mucuna gigantea as a potent anti-inflammatory and anti-arthritic agent that may be proposed for rheumatoid arthritis treatment.</p>\",\"PeriodicalId\":10886,\"journal\":{\"name\":\"Current computer-aided drug design\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":1.5000,\"publicationDate\":\"2023-08-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Current computer-aided drug design\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://doi.org/10.2174/1573409920666230817142114\",\"RegionNum\":4,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, MEDICINAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current computer-aided drug design","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.2174/1573409920666230817142114","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
引用次数: 0
摘要
巨型粘虫是一种传统植物,据报道用于治疗神经障碍、男性不育等,也具有壮阳、抗氧化和抗糖尿病的特性。很少有研究对巨木茶进行。尚未对类风湿关节炎(RA)进行药理学评价。在类风湿性关节炎中,身体的自然防御机制被混淆,并开始针对身体的健康组织,从而导致关节疼痛、肿胀、骨质侵蚀和关节僵硬。这是一种被归类为自身免疫性疾病的疾病。方法通过计算机对接分析,从文献综述的配体文库中发现-谷甾醇存在于巨型麻豆中。角叉菜胶诱导大鼠足底炎症,弗氏完全佐剂诱导大鼠足底慢性炎症。分别以75、150、300 mg/kg三种剂量口服石油醚、乙醇和水提取物。以双氯芬酸钠(10mg /kg)、强的松龙(5mg /kg)、甲氨蝶呤(0.5 mg/kg)为标准品。采用单因素方差分析(one-way ANOVA)分析均数间的统计学显著性,然后进行Dunnett多元极差检验。每组的数值以mean±SD表示(n=6), aP
Anti-inflammatory and Anti-arthritic Properties of Mucuna gigantea Plant Extracts: Establishing by Molecular Docking Study.
Background Mucuna giganteais a traditional plant reported in the management of nervous disorders, male infertility, etc., and also exhibits aphrodisiac, anti-oxidant, and anti-diabetic properties. Very few studies are conducted on Mucuna gigantea. It has not been pharmacologically evaluated for rheumatoid arthritis (RA). In RA, the body's natural defence mechanism gets confused and begins to target the healthy tissues in the body, which leads to joint pain, swelling, bone erosion, and joint stiffness. It is a condition that is classified as an auto-immune disorder. Methods In-silico docking depicted that beta-sitosterol is present in Mucuna gigantea out of ligand library prepared based on a literature survey using computational analysis. Inflammation was induced by carrageen and chronic inflammation was induced by Freund's complete adjuvant in the plantar surface of the rats. The petroleum ether, ethanolic and aqueous extracts in three divided doses (75, 150, and 300 mg/kg) were administered orally. Diclofenac sodium (10 mg/kg), prednisolone (5 mg/kg), and methotrexate (0.5 mg/kg) were used as standard. The statistical significance between means was analyzed using one-way ANOVA, followed by Dunnett's multiple range test. The values are expressed as mean ± SD for each group (n=6), and aP<0.0001, bP<0.001, and cP<0.05 were compared with a negative control group. Results Ethanolic and petroleum ether extracts showed a statistically significant aP<0.0001 effect at 3hr with 300mg/kg effect in analgesic activity, whereas aqueous extracts showed statistically significant aP<0.0001 effect at 1.5hr with 150 and 300mg/kg. In the carrageen-induced model, all three extracts at 300 mg/kg showed a statistically significant aP<0.0001 effect from 2- 4hr. In Freund's adjuvant model, all three extracts at all doses showed a statistically significant aP<0.0001 effect. Also, Mucuna gigantea remarkably ameliorated altered WBCs, rheumatoid factor, and positively modified radiographic and histopathological changes. Conclusion Taken together, these results support the traditional use of Mucuna gigantea as a potent anti-inflammatory and anti-arthritic agent that may be proposed for rheumatoid arthritis treatment.
期刊介绍:
Aims & Scope
Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design.
Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews, original research articles and letter articles written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, theoretical chemistry; computational chemistry; computer and molecular graphics; molecular modeling; protein engineering; drug design; expert systems; general structure-property relationships; molecular dynamics; chemical database development and usage etc., providing excellent rationales for drug development.