電子 difraktion は,製薬ナノ結晶の分子絶対構成を決定する

Petr Brázda¹, Lukáš Palatinus², Martin Babor^3,4

¹Institute of Physics of the Czech Academy of Sciences, Na Slovance 2, 18200 Prague 8, Czech Republic. brazda@fzu.cz.

Science (New York, N.Y.)

|May 18, 2019

まとめ

有機分子の絶対的構成を決定することは薬の開発において極めて重要ですこの研究は,ナノ結晶の電子 difraksionは,より不安定な製薬コクリスタルの場合でも,これを達成できることを示しています.

科学分野:

クリスタルグラフィー
電子微分
薬物開発

背景:

絶対的な構成の決定は,医薬品開発と規制当局の承認のために不可欠です.
以前の電子 difraktion 方法は,非常に安定した結晶材料を必要とした.
ソフォスブービルとl-プロリンコクリスタルは,安定性が低いため,問題です.

研究の目的:

不安定な製薬コクリスタルの電子 difraktion を用いて絶対的な構成を決定する可能性を実証する.
初期構造の決定のための高度なデータ収集と処理技術を紹介する.
構造分析におけるダイナミック・ディフラクションの役割を強調する.

主な方法:

ナノ結晶のソフォスブービル-l-プロリンコクリスタルで電子 difraktion を利用した.
水晶の不安定性を克服するために多位置データ収集を使用しました.
アビニシオ構造溶液のための高度な強度抽出手順を実装した.

主要な成果:

薬用コクリスタルの完全な初期構造分析を成功裏に実行しました.
構造の決定は,以前よりもかなり不安定な材料で達成されました.
ダイナミック・ディフラクション・エフェクトは絶対構造の決定を可能にします

結論:

ナノ結晶の電子 difraktionは,より不安定な薬剤化合物の絶対的構成を決定するための実行可能な方法です.
先進的なデータ収集と処理は材料の安定性の限界を克服します
ダイナミックな difraktion 効果は,光原子材料の正確な構造の決定のための鍵です.

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