Engineering inhibitory proteins with InSiPS: the in-silico protein synthesizer

SC15: International Conference for High Performance Computing, Networking, Storage and Analysis Pub Date : 2015-11-15 DOI:10.1145/2807591.2807630

Andrew Schoenrock, Daniel J. Burnside, H. Moteshareie, A. Wong, A. Golshani, F. Dehne

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引用次数: 5

Abstract

Engineered proteins are synthetic novel proteins (not found in nature) that are designed to fulfill a predetermined biological function. Such proteins can be used as molecular markers, inhibitory agents, or drugs. For example, a synthetic protein could bind to a critical protein of a pathogen, thereby inhibiting the function of the target protein and potentially reducing the impact of the pathogen. In this paper we present the In-Silico Protein Synthesizer (InSiPS), a massively parallel computational tool for the IBM Blue Gene/Q that is aimed at designing inhibitory proteins. More precisely, InSiPS designs proteins that are predicted to interact with a given target protein (and may inhibit the target's cellular functions) while leaving non-target proteins unaffected (to minimize side-effects). As proof-of-concepts, two InSiPS designed proteins have been synthesized in the lab and their inhibitory properties have been experimentally verified through wet-lab experimentation.

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用硅蛋白合成器insps工程抑制蛋白

工程蛋白是合成的新型蛋白质(不存在于自然界中)，旨在实现预定的生物功能。这些蛋白质可用作分子标记、抑制剂或药物。例如，合成蛋白可以与病原体的关键蛋白结合，从而抑制目标蛋白的功能并潜在地减少病原体的影响。在本文中，我们介绍了In- silicon Protein Synthesizer (insps)，这是IBM Blue Gene/Q的大规模并行计算工具，旨在设计抑制蛋白。更准确地说，insps设计的蛋白质可以与给定的靶蛋白相互作用(并可能抑制靶蛋白的细胞功能)，而不影响非靶蛋白(以减少副作用)。作为概念验证，两种insps设计的蛋白质已经在实验室合成，并通过湿实验室实验验证了它们的抑制特性。

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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SC15: International Conference for High Performance Computing, Networking, Storage and Analysis

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