天然产物化学和计算机辅助药物设计——一种药物发现的方法

S. Ugariogu
{"title":"天然产物化学和计算机辅助药物设计——一种药物发现的方法","authors":"S. Ugariogu","doi":"10.23880/ipcm-16000207","DOIUrl":null,"url":null,"abstract":"Natural products have been an inherent part of sustaining acculturation because of their medicinal properties. Past discoveries of bioactive natural products have relied on serendipity and accidental experience, and these compounds serve as inspiration for the generation of analogs with desired physicochemical properties. Bioactive natural products with therapeutic potential are abundantly available in nature and some of them are beyond exploration by conventional methods. However there has been a great breakthrough in the study of computer aided drug design (CADD) as many unfruitful lab researches have been averted and money, time and energies saved through CADD. Computer-aided drug design is a stimulating, arousing and manifold discipline where various aspects of applied and basic research integrate and induce each other. The empirical basis of CADD involves quantum mechanics and molecular modeling studies like structure based drug design; ligand-based drug design; database searching and binding affinity based on the knowledge of a biological target. In this present review we present the areas where natural product chemistry and CADD tools support drug discovery processes.","PeriodicalId":298121,"journal":{"name":"International Journal of Pharmacognosy & Chinese Medicine","volume":"24 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Natural Product Chemistry and Computer Aided Drug Design an Approach to Drug Discovery: A Review Article\",\"authors\":\"S. Ugariogu\",\"doi\":\"10.23880/ipcm-16000207\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Natural products have been an inherent part of sustaining acculturation because of their medicinal properties. Past discoveries of bioactive natural products have relied on serendipity and accidental experience, and these compounds serve as inspiration for the generation of analogs with desired physicochemical properties. Bioactive natural products with therapeutic potential are abundantly available in nature and some of them are beyond exploration by conventional methods. However there has been a great breakthrough in the study of computer aided drug design (CADD) as many unfruitful lab researches have been averted and money, time and energies saved through CADD. Computer-aided drug design is a stimulating, arousing and manifold discipline where various aspects of applied and basic research integrate and induce each other. The empirical basis of CADD involves quantum mechanics and molecular modeling studies like structure based drug design; ligand-based drug design; database searching and binding affinity based on the knowledge of a biological target. In this present review we present the areas where natural product chemistry and CADD tools support drug discovery processes.\",\"PeriodicalId\":298121,\"journal\":{\"name\":\"International Journal of Pharmacognosy & Chinese Medicine\",\"volume\":\"24 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1900-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Pharmacognosy & Chinese Medicine\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.23880/ipcm-16000207\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Pharmacognosy & Chinese Medicine","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.23880/ipcm-16000207","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2

摘要

由于天然产品的药用特性,它们一直是维持文化适应的固有组成部分。过去生物活性天然产物的发现依赖于意外发现和偶然的经验,这些化合物为产生具有所需物理化学性质的类似物提供了灵感。具有治疗潜力的生物活性天然产物在自然界中大量存在,其中一些是传统方法无法探索的。然而,计算机辅助药物设计(CADD)的研究取得了很大的突破,避免了许多徒劳的实验室研究,节省了金钱、时间和精力。计算机辅助药物设计是一门应用研究与基础研究相结合、相互促进的学科。CADD的经验基础包括量子力学和分子模型研究,如基于结构的药物设计;配体药物设计;基于生物靶标知识的数据库搜索和绑定亲和力。在本综述中,我们介绍了天然产物化学和CADD工具支持药物发现过程的领域。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Natural Product Chemistry and Computer Aided Drug Design an Approach to Drug Discovery: A Review Article
Natural products have been an inherent part of sustaining acculturation because of their medicinal properties. Past discoveries of bioactive natural products have relied on serendipity and accidental experience, and these compounds serve as inspiration for the generation of analogs with desired physicochemical properties. Bioactive natural products with therapeutic potential are abundantly available in nature and some of them are beyond exploration by conventional methods. However there has been a great breakthrough in the study of computer aided drug design (CADD) as many unfruitful lab researches have been averted and money, time and energies saved through CADD. Computer-aided drug design is a stimulating, arousing and manifold discipline where various aspects of applied and basic research integrate and induce each other. The empirical basis of CADD involves quantum mechanics and molecular modeling studies like structure based drug design; ligand-based drug design; database searching and binding affinity based on the knowledge of a biological target. In this present review we present the areas where natural product chemistry and CADD tools support drug discovery processes.
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
自引率
0.00%
发文量
0
期刊最新文献
Pharmacognostic Evaluation of Platycerium bifurcatum (Cav.) C. Chr. (Polypodiaceae) Overview of the Complexities in Diagnosing Treating and Preventing Tuberculosis along with the Most Effective Dosage Plans Evaluation of Effect on Combination of Five Medicinal Plants Extracts on Denaturation of Protein - A Remedy of Arthritis Disease Phytopharmacological Perspectives of Tinospora cordifolia Chemical Constituents and Medicinal Properties 1,8-Cineole an Underappreciated Anti Inflammatory Therapeutic
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1