ディープラーニングを用いたプロテインの機能部位
Jue Wang1,2, Sidney Lisanza1,2,3, David Juergens1,2,4
1Department of Biochemistry, University of Washington, Seattle, WA 98105, USA.
Science (New York, N.Y.)
|July 21, 2022
まとめ
ディープラーニングは機能的な部位の配列を最適化することで 新しいタンパク質の構造を設計します これらの方法は 酵素や免疫因子のような 多様なタンパク質を作り 計算や実験で検証されます
科学分野:
- タンパク質工学
- 計算生物学
- バイオテクノロジー
背景:
- タンパク質の機能は 安定した構造内の特定の残留物に依存しています
- 望ましい機能を持つ新しいタンパク質を設計することは大きな課題です.
- 現在の方法では 既定のタンパク質の折りたたみや構造が必要です
研究 の 目的:
- 新しいタンパク質の設計のための ディープラーニングの方法の開発
- 機能的なタンパク質サイトを作るために 架空のアーキテクチャを事前に指定することなく
- 免疫原体,酵素,結合タンパク質を含む多様なタンパク質を生成する.
主な方法:
- "制限された幻覚"を導入し, 望ましい機能的な場所のシーケンスを最適化します.
- RoseTTAFoldを使って機能的な場所の周りに"インペインティング"を開発しました.
- 様々な機能的なタンパク質を設計するために これらの方法を適用しました
主要な成果:
- 免疫因子候補,受容体トラップ,金属タンパク質,酵素,タンパク質結合タンパク質を成功裏に設計した.
- インシリコ予測と実験テストの組み合わせで検証された設計.
- 既定の折りたたみなしに 機能的なタンパク質の構造を作り出す 能力を示した.
結論:
- ディープラーニングは 新しいタンパク質の設計に 強力なツールを提供します
- これらの方法により,特異な機能を備えた新種のタンパク質が作られます.
- 開発されたアプローチは,バイオテクノロジーとタンパク質工学において広範な応用がある.
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