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一些重要抗癌杂环化合物的分子模拟研究综述

Molecular Modeling Studies on Some Important Anticancer Heterocycles: An Overview.

作者信息

Kale Mayura, Sonwane Gajanan, Nawale Rajesh, Mourya Vishnukant

机构信息

Department of Pharmaceutical Chemistry, Government College of Pharmacy, Osmanpura, Aurangabad-431005, Maharashtra, India.

出版信息

Curr Comput Aided Drug Des. 2018;14(3):178-190. doi: 10.2174/1573409914666180321105745.

DOI:10.2174/1573409914666180321105745
PMID:29564984
Abstract

There has been a rapid surge in the research and exchange of ideas in various areas of chemistry such as organic, pharmaceutical, analytical, and medicinal chemistry. It is well recognized that heterocycles are vital components of many biochemical processes. Pharma industry comprises more than 75% of top selling drugs that are of heterocyclic origin. Among many diseases, cancer can be considered to be a dreaded disease that has overtaken the masses across the globe. Hence, there has been a need to develop drugs that are less toxic and do not provide resistance in the long run. Thus, this need-based development of anticancer drugs through the use of heterocycles has gained its pace since last two decades and there has been a gush among the researchers to apply various approaches in designing anticancer molecules. More specifically, research is being targeted on the utilization of molecular modeling techniques for developing new anticancer agents specifically targeting various cancer cell lines, specific enzymes and tissues. Some of the important and conclusive findings using this approach have been presented in this review.

摘要

在有机化学、药物化学、分析化学和 medicinal 化学等化学的各个领域,研究和思想交流都出现了迅速的激增。众所周知,杂环是许多生化过程的重要组成部分。制药行业中,超过75% 的畅销药物都源自杂环。在众多疾病中,癌症可被视为一种令全球民众恐惧的疾病。因此,需要开发毒性较小且长期不会产生耐药性的药物。于是,自过去二十年来,通过使用杂环进行基于需求的抗癌药物开发已逐渐兴起,研究人员纷纷采用各种方法来设计抗癌分子。更具体地说,研究的目标是利用分子建模技术来开发专门针对各种癌细胞系、特定酶和组织的新型抗癌药物。本综述展示了使用这种方法取得的一些重要且确凿的研究成果。

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