关于抑制 HMG CoA 还原酶与 Terminalia cuneata Roth 植物化学物质的分子对接研究。

IF 0.2 Q4 BIOTECHNOLOGY & APPLIED MICROBIOLOGY
Rini Abraham
{"title":"关于抑制 HMG CoA 还原酶与 Terminalia cuneata Roth 植物化学物质的分子对接研究。","authors":"Rini Abraham","doi":"10.25303/1903rjbt1080119","DOIUrl":null,"url":null,"abstract":"Inhibition of cholesterol synthesis by targeting the enzyme hydroxyl methyl glutarate coenzyme reductase (HMGCR), a rate-limiting enzyme in the mevalonate pathway, has been identified as a promising approach. The most commonly employed drugs for the treatment of hyperlipidemia, statins, have been identified with some risk factors for muscle-related side effects. In this present study, an attempt is made to inhibit the HMG-CoA reductase enzyme using phytochemicals of Terminalia cuneata by in silico approach. The software AutoDock 4.2 was used for the docking study. We used atorvastatin and lovastatin as positive control. We also found the drug likeliness and bioactivity score of all inhibitors using the mol-inspiration prediction tool. We found that most of the compounds showed the best binding energy results against the targeted enzyme.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2000,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A molecular docking study on inhibition of HMG CoA reductase with respect to phytochemicals of Terminalia cuneata Roth.\",\"authors\":\"Rini Abraham\",\"doi\":\"10.25303/1903rjbt1080119\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Inhibition of cholesterol synthesis by targeting the enzyme hydroxyl methyl glutarate coenzyme reductase (HMGCR), a rate-limiting enzyme in the mevalonate pathway, has been identified as a promising approach. The most commonly employed drugs for the treatment of hyperlipidemia, statins, have been identified with some risk factors for muscle-related side effects. In this present study, an attempt is made to inhibit the HMG-CoA reductase enzyme using phytochemicals of Terminalia cuneata by in silico approach. The software AutoDock 4.2 was used for the docking study. We used atorvastatin and lovastatin as positive control. We also found the drug likeliness and bioactivity score of all inhibitors using the mol-inspiration prediction tool. We found that most of the compounds showed the best binding energy results against the targeted enzyme.\",\"PeriodicalId\":48695,\"journal\":{\"name\":\"Research Journal of Biotechnology\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.2000,\"publicationDate\":\"2024-01-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Research Journal of Biotechnology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.25303/1903rjbt1080119\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOTECHNOLOGY & APPLIED MICROBIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Research Journal of Biotechnology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.25303/1903rjbt1080119","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOTECHNOLOGY & APPLIED MICROBIOLOGY","Score":null,"Total":0}
引用次数: 0

摘要

通过靶向甲羟戊酸途径中的限速酶羟基甲基戊二酸辅酶还原酶(HMGCR)来抑制胆固醇的合成,已被认为是一种很有前景的方法。治疗高脂血症最常用的药物他汀类药物已被确认存在一些导致肌肉相关副作用的风险因素。在本研究中,我们尝试采用硅学方法,利用杉属植物化学物质来抑制 HMG-CoA 还原酶。对接研究使用了 AutoDock 4.2 软件。我们使用阿托伐他汀和洛伐他汀作为阳性对照。我们还利用分子启发预测工具发现了所有抑制剂的药物相似性和生物活性得分。我们发现,大多数化合物都显示出了与目标酶的最佳结合能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A molecular docking study on inhibition of HMG CoA reductase with respect to phytochemicals of Terminalia cuneata Roth.
Inhibition of cholesterol synthesis by targeting the enzyme hydroxyl methyl glutarate coenzyme reductase (HMGCR), a rate-limiting enzyme in the mevalonate pathway, has been identified as a promising approach. The most commonly employed drugs for the treatment of hyperlipidemia, statins, have been identified with some risk factors for muscle-related side effects. In this present study, an attempt is made to inhibit the HMG-CoA reductase enzyme using phytochemicals of Terminalia cuneata by in silico approach. The software AutoDock 4.2 was used for the docking study. We used atorvastatin and lovastatin as positive control. We also found the drug likeliness and bioactivity score of all inhibitors using the mol-inspiration prediction tool. We found that most of the compounds showed the best binding energy results against the targeted enzyme.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Research Journal of Biotechnology
Research Journal of Biotechnology BIOTECHNOLOGY & APPLIED MICROBIOLOGY-
CiteScore
0.60
自引率
0.00%
发文量
192
期刊介绍: We invite you to contribute Research Papers / Short Communications / Review Papers: -In any field of Biotechnology, Biochemistry, Microbiology and Industrial Microbiology, Soil Technology, Agriculture Biotechnology. -in any field related to Food Biotechnology, Nutrition Biotechnology, Genetic Engineering and Commercial Biotechnology. -in any field of Biotechnology related to Drugs and Pharmaceutical products for human beings, animals and plants. -in any field related to Environmental Biotechnolgy, Waste Treatment of Liquids, Soilds and Gases; Sustainability. -in inter-realted field of Chemical Sciences, Biological Sciences, Environmental Sciences and Life Sciences. -in any field related to Biotechnological Engineering, Industrial Biotechnology and Instrumentation. -in any field related to Nano-technology. -in any field related to Plant Biotechnology.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信