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Updated: Jun 23, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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Published on: February 23, 2024

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通过基于连接体的药物设计,分子对接,分子动力学模拟和药物动力学预测,揭示了杆杆菌病的强效抑制剂

Saudatu Chinade Ja'afaru1,2, Adamu Uzairu1, Imren Bayil3

  • 1Department of Chemistry Ahmadu Bello University Zaria, Zaria, Nigeria.

PloS one
|June 26, 2024
PubMed
概括

设计了新的非共价抑制剂,以向Schistosoma mansoni 铁素氨酸降解酶 (SmTGR). 计算研究验证了它们作为有效的抗杆菌病剂的潜力,为抗药性提供了希望.

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