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Updated: Jul 1, 2026

Standardized Identification of Compound Structure in Tibetan Medicine Using Ion Trap Mass Spectrometry and Multiple-Stage Fragmentation Analysis
09:24

Standardized Identification of Compound Structure in Tibetan Medicine Using Ion Trap Mass Spectrometry and Multiple-Stage Fragmentation Analysis

Published on: March 17, 2023

2D形状的にサンプリングされたファルマコフォール:デルタオピオイドアゴニストとアンタゴニストを区別するためのリガンドベースのファルマコフォール

Denzil Bernard1, Andrew Coop, Alexander D MacKerell

  • 1Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, USA.

Journal of the American Chemical Society
|March 6, 2003
PubMed
まとめ

この研究では,2Dコンフォメーション的にサンプリングされたファルマコフォア (CSP) 方法が分子動態シミュレーションを用いて導入されています. このアプローチは,デルタオピオイド受容体のアゴニストとアンタゴニストを区別するために分子動態を考慮することによって,合理的な薬物設計を強化します.

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