Structure-based drug design

IF 2.2 4区生物学

Acta Crystallographica Section D: Biological Crystallography Pub Date : 2013-06-14 DOI:10.4172/2329-6887.1000E111

M. Rarey, B. Kramer, Thomas Lengauer

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引用次数: 205

Abstract

Volume 1 • Issue 4 • 1000e111 J Pharmacovigilance ISSN: 2329-6887 JP, an open access journal In today’s world where life is fast-paced, public health is a big concern. With the tremendous ongoing development in the field of pharmaceutical drugs, people can find cure for a vast variety of diseases. These modern-day medicines have been proven to be more effective in treating, managing, controlling and preventing the diseases and their reoccurrence. For example, cancer patients, who had a very low rate of survival in 1970’s, can now be treated more efficiently by chemotherapy. At present, the cancer death rate has declined by 20% in comparison to 1990 [1]. However, along with rapid progress in the efficacy of these pharmaceutical medicines, have come long-term undesirable side effects, poor absorption and clearance, multi-drug resistance, excessive toxicities, and adverse reactions of these medicines. Hence, there is a stringent need to get a closer insight into these drugs in terms of their structure and function, their molecular interactions with large biomolecules (protein, nucleic acids) within the cell, so as to design and/or modify the drugs to have improved potency, fewer side effects and selective binding to their biomolecular target.

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基于结构的药物设计

《药物警戒》ISSN: 2329-6887 JP，一份开放获取期刊在当今世界，生活节奏快，公共卫生是一个大问题。随着医药领域的巨大发展，人们可以找到治疗各种疾病的方法。这些现代药物已被证明在治疗、管理、控制和预防疾病及其复发方面更为有效。例如，癌症患者，在20世纪70年代存活率很低，现在可以通过化疗更有效地治疗。目前，癌症死亡率与1990年相比下降了20%。然而，在这些药物疗效迅速提高的同时，也出现了长期不良副作用、吸收和清除率差、多药耐药、毒性过大和不良反应。因此，迫切需要更深入地了解这些药物的结构和功能，以及它们与细胞内大分子(蛋白质、核酸)的分子相互作用，从而设计和/或修饰药物，使其具有更高的效力、更少的副作用和与生物分子靶标的选择性结合。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section D: Biological Crystallography 生物-晶体学

自引率

13.60%

发文量

审稿时长

3 months

期刊介绍： Acta Crystallographica Section D welcomes the submission of articles covering any aspect of structural biology, with a particular emphasis on the structures of biological macromolecules or the methods used to determine them. Reports on new structures of biological importance may address the smallest macromolecules to the largest complex molecular machines. These structures may have been determined using any structural biology technique including crystallography, NMR, cryoEM and/or other techniques. The key criterion is that such articles must present significant new insights into biological, chemical or medical sciences. The inclusion of complementary data that support the conclusions drawn from the structural studies (such as binding studies, mass spectrometry, enzyme assays, or analysis of mutants or other modified forms of biological macromolecule) is encouraged. Methods articles may include new approaches to any aspect of biological structure determination or structure analysis but will only be accepted where they focus on new methods that are demonstrated to be of general applicability and importance to structural biology. Articles describing particularly difficult problems in structural biology are also welcomed, if the analysis would provide useful insights to others facing similar problems.