Bioactive compounds as a potential inhibitor of colorectal cancer; an insilico study of Gallic acid and Pyrogallol

Annals of Colorectal Research Pub Date : 2021-04-01 DOI:10.30476/ACRR.2021.89642.1080

P. Mohapatra, D. Mitra, A. Dey, Ishita Biswas

{"title":"Bioactive compounds as a potential inhibitor of colorectal cancer; an insilico study of Gallic acid and Pyrogallol","authors":"P. Mohapatra, D. Mitra, A. Dey, Ishita Biswas","doi":"10.30476/ACRR.2021.89642.1080","DOIUrl":null,"url":null,"abstract":"Abstract Introduction- Now a day’s colorectal cancer (CRC) is one of the most deadly cancers in the world. The objective of this investigation was to evaluate the protective effect of gallic acid and pyrogallol in colorectal cancer. Previous reports suggest that there is an association present between some tannase producing bacteria and colorectal cancer. Tannase hydrolyze tannic acid into gallic acid and pyrogallol. Are those compounds have any therapeutic effect on colorectal cancer? This study will help to find those quarries. Methods-The remedial effect of gallic acid and pyrogallol was studied by descriptor properties and molecular docking methods. 100 CRC causing protein structures were docked in this investigation. Results- Lipinski Rule of Five and other descriptor properties of those compounds have showed their nontoxic and therapeutic nature. Molecular docking studies have showed highest score -38.22 KJ/Mol with gallic acid and -33.6 KJ/Mol with pyrogallol. Conclusion- This is the first report on docking investigation of these large numbers of protein. The findings of this research concluded that gallic acid and pyrogallol have a protective effect in colorectal cancer by stopping the effect of those CRC causing protein.","PeriodicalId":8370,"journal":{"name":"Annals of Colorectal Research","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2021-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"11","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Annals of Colorectal Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.30476/ACRR.2021.89642.1080","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 11

Abstract

Abstract Introduction- Now a day’s colorectal cancer (CRC) is one of the most deadly cancers in the world. The objective of this investigation was to evaluate the protective effect of gallic acid and pyrogallol in colorectal cancer. Previous reports suggest that there is an association present between some tannase producing bacteria and colorectal cancer. Tannase hydrolyze tannic acid into gallic acid and pyrogallol. Are those compounds have any therapeutic effect on colorectal cancer? This study will help to find those quarries. Methods-The remedial effect of gallic acid and pyrogallol was studied by descriptor properties and molecular docking methods. 100 CRC causing protein structures were docked in this investigation. Results- Lipinski Rule of Five and other descriptor properties of those compounds have showed their nontoxic and therapeutic nature. Molecular docking studies have showed highest score -38.22 KJ/Mol with gallic acid and -33.6 KJ/Mol with pyrogallol. Conclusion- This is the first report on docking investigation of these large numbers of protein. The findings of this research concluded that gallic acid and pyrogallol have a protective effect in colorectal cancer by stopping the effect of those CRC causing protein.

查看原文本刊更多论文

生物活性化合物作为潜在的结直肠癌抑制剂没食子酸和邻苯三酚的计算机研究

摘要导读-现在一天的结直肠癌(CRC)是世界上最致命的癌症之一。本研究的目的是评价没食子酸和邻苯三酚对结直肠癌的保护作用。先前的报告表明，某些产生单宁酶的细菌与结直肠癌之间存在关联。单宁酶将单宁酸水解成没食子酸和邻苯三酚。这些化合物对结直肠癌有治疗作用吗?这项研究将有助于找到这些采石场。方法采用描述子性质和分子对接方法研究没食子酸和邻苯三酚的治疗效果。在这项研究中发现了100个引起结直肠癌的蛋白质结构。结果:这些化合物的利平斯基五定律和其他描述性质显示了它们的无毒和治疗性质。分子对接研究表明，与没食子酸和邻苯三酚的分子对接得分最高，分别为-38.22 KJ/Mol和-33.6 KJ/Mol。结论:这是首次对这些大量蛋白进行对接研究的报道。本研究结果表明，没食子酸和邻苯三酚通过阻止结直肠癌致病蛋白的作用，对结直肠癌具有保护作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Annals of Colorectal Research

自引率

0.00%

发文量