Efficacy and Toxicity Assessment of Different Antibody Based Antiangiogenic Drugs by Computational Docking Method

Q1 Biochemistry, Genetics and Molecular Biology Advances in Bioinformatics Pub Date : 2016-03-07 DOI:10.1155/2016/7053712
Sayan Mukherjee, Gopa Chatterjee, M. Ghosh, B. Das, D. Majumder
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引用次数: 8

Abstract

Bevacizumab and trastuzumab are two antibody based antiangiogenic drugs that are in clinical practice for the treatment of different cancers. Presently applications of these drugs are based on the empirical choice of clinical experts that follow towards population based clinical trials and, hence, their molecular efficacies in terms of quantitative estimates are not being explored. Moreover, different clinical trials with these drugs showed different toxicity symptoms in patients. Here, using molecular docking study, we made an attempt to reveal the molecular rationale regarding their efficacy and off-target toxicity. Though our study reinforces their antiangiogenic potentiality and, among the two, trastuzumab has much higher efficacy; however, this study also reveals that compared to bevacizumab, trastuzumab has higher toxicity effect, specially on the cardiovascular system. This study also reveals the molecular rationale of ocular dysfunction by antiangiogenic drugs. The molecular rationale of toxicity as revealed in this study may help in the judicious choice as well as therapeutic scheduling of these drugs in different cancers.
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基于计算对接方法的不同抗体型抗血管生成药物的疗效和毒性评价
贝伐单抗和曲妥珠单抗是两种基于抗体的抗血管生成药物,用于临床治疗不同的癌症。目前,这些药物的应用是基于临床专家的经验选择,然后进行基于人群的临床试验,因此,从定量估计的角度来看,它们的分子功效尚未得到探索。此外,这些药物在不同的临床试验中表现出不同的毒性症状。本文通过分子对接研究,试图揭示其药效和脱靶毒性的分子原理。虽然我们的研究强化了它们的抗血管生成潜能,在这两种药物中,曲妥珠单抗的疗效要高得多;然而,本研究也显示,与贝伐单抗相比,曲妥珠单抗具有更高的毒性作用,特别是对心血管系统的毒性作用。本研究也揭示了抗血管生成药物引起眼功能障碍的分子原理。本研究揭示的毒性的分子原理可能有助于这些药物在不同癌症中的明智选择和治疗计划。
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
Advances in Bioinformatics
Advances in Bioinformatics Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (miscellaneous)
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