pinostrobin和pintropinin作为抗光老化剂的效能:硅片研究

Q2 Medicine
Gusti Ngurah, Agung Pradnyana, Ketut Yuantarisa, Kartika Putri, Ni Made, Pitri Susanti, Ni Putu, Linda Laksmiani
{"title":"pinostrobin和pintropinin作为抗光老化剂的效能:硅片研究","authors":"Gusti Ngurah, Agung Pradnyana, Ketut Yuantarisa, Kartika Putri, Ni Made, Pitri Susanti, Ni Putu, Linda Laksmiani","doi":"10.51511/pr.58","DOIUrl":null,"url":null,"abstract":"Photoaging occurs when the skin ages due to ultraviolet light exposure. Phenolic compounds generally possess antioxidant activity, which helps prevent the formation of free radicals caused by sunlight exposure. This study explores the potential of pinostrobin and pinocembrin as antiphotoaging agents through molecular docking against matrix metalloproteinases (MMPs): MMP-1, MMP-3, and MMP-9. We utilized Hyperchem 8 to prepare and optimize the test compound and Chimera 1.11.1 for protein preparation. Validation and docking procedures were conducted using the AutoDockTools 1.5.6 application, with validation confirming that the method was valid with an RMSD value ≤ 3 Å. Both pinostrobin and pinocembrin exhibited an affinity for the target protein, although their affinity was slightly less than that of the native ligand and retinol. In conclusion, pinostrobin and pinocembrin demonstrate an affinity for MMP-1, MMP-3, and MMP-9, indicating their potential as anti-photoaging agents by obstructing the mechanisms of MMP-1, MMP-3, and MMP-9.","PeriodicalId":18438,"journal":{"name":"Medicine and Pharmacy Reports","volume":"89 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The potency of pinostrobin and pinocembrin as antiphotoaging agents: in silico study\",\"authors\":\"Gusti Ngurah, Agung Pradnyana, Ketut Yuantarisa, Kartika Putri, Ni Made, Pitri Susanti, Ni Putu, Linda Laksmiani\",\"doi\":\"10.51511/pr.58\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Photoaging occurs when the skin ages due to ultraviolet light exposure. Phenolic compounds generally possess antioxidant activity, which helps prevent the formation of free radicals caused by sunlight exposure. This study explores the potential of pinostrobin and pinocembrin as antiphotoaging agents through molecular docking against matrix metalloproteinases (MMPs): MMP-1, MMP-3, and MMP-9. We utilized Hyperchem 8 to prepare and optimize the test compound and Chimera 1.11.1 for protein preparation. Validation and docking procedures were conducted using the AutoDockTools 1.5.6 application, with validation confirming that the method was valid with an RMSD value ≤ 3 Å. Both pinostrobin and pinocembrin exhibited an affinity for the target protein, although their affinity was slightly less than that of the native ligand and retinol. In conclusion, pinostrobin and pinocembrin demonstrate an affinity for MMP-1, MMP-3, and MMP-9, indicating their potential as anti-photoaging agents by obstructing the mechanisms of MMP-1, MMP-3, and MMP-9.\",\"PeriodicalId\":18438,\"journal\":{\"name\":\"Medicine and Pharmacy Reports\",\"volume\":\"89 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-08-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Medicine and Pharmacy Reports\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.51511/pr.58\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"Medicine\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Medicine and Pharmacy Reports","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.51511/pr.58","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Medicine","Score":null,"Total":0}
引用次数: 0

摘要

当皮肤因紫外线照射而老化时,就会发生光老化。酚类化合物通常具有抗氧化活性,有助于防止由阳光照射引起的自由基的形成。本研究通过对基质金属蛋白酶(mmp): MMP-1、MMP-3和MMP-9的分子对接,探讨了pinostrobin和pinpinembrin作为抗光老化剂的潜力。我们利用Hyperchem 8对被试化合物进行制备和优化,并用Chimera 1.11.1进行蛋白制备。使用AutoDockTools 1.5.6应用程序进行验证和对接程序,验证确认方法有效,RMSD值≤3 Å。pinostrobin和pinobenin对靶蛋白都有亲和力,但它们的亲和力略低于天然配体和视黄醇。总之,pinostrobin和pinpinembrin对MMP-1、MMP-3和MMP-9具有亲和力,表明它们可能通过阻断MMP-1、MMP-3和MMP-9的机制而成为抗光老化剂。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The potency of pinostrobin and pinocembrin as antiphotoaging agents: in silico study
Photoaging occurs when the skin ages due to ultraviolet light exposure. Phenolic compounds generally possess antioxidant activity, which helps prevent the formation of free radicals caused by sunlight exposure. This study explores the potential of pinostrobin and pinocembrin as antiphotoaging agents through molecular docking against matrix metalloproteinases (MMPs): MMP-1, MMP-3, and MMP-9. We utilized Hyperchem 8 to prepare and optimize the test compound and Chimera 1.11.1 for protein preparation. Validation and docking procedures were conducted using the AutoDockTools 1.5.6 application, with validation confirming that the method was valid with an RMSD value ≤ 3 Å. Both pinostrobin and pinocembrin exhibited an affinity for the target protein, although their affinity was slightly less than that of the native ligand and retinol. In conclusion, pinostrobin and pinocembrin demonstrate an affinity for MMP-1, MMP-3, and MMP-9, indicating their potential as anti-photoaging agents by obstructing the mechanisms of MMP-1, MMP-3, and MMP-9.
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
Medicine and Pharmacy Reports
Medicine and Pharmacy Reports Medicine-Medicine (all)
CiteScore
3.10
自引率
0.00%
发文量
63
×
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