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用纳素衍生物模拟SARS-CoV-2主要蛋白酶的分子对接和动态模拟

Rageh K Hussein1, Mohammad Marashdeh1, Ahmed M El-Khayatt1

  • 1Department of Physics, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia.

Bioinformation
|October 12, 2023
PubMed
概括

纳普罗是一种抗炎药物,显示出潜在的抗病毒特性. 这项研究研究了它的衍生品.

关键词:
分子对接是分子对接.分子动力学分子动力学纳普罗森衍生品 纳普罗森衍生品这就是SARS-CoV-2病毒.药物相似性和ADMET的特性.

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Protein-Drug Binding: Mechanism and Kinetics01:16

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Protein-drug binding refers to the interaction between drugs and proteins within the body. This binding process can occur intracellularly, involving drug interactions with enzymes or receptors within cells, or extracellularly, involving plasma proteins in the blood.
Various forces drive these interactions, including hydrogen bonds, hydrophobic interactions, ionic bonds, electrostatic interactions, and van der Waals forces. These bonds enable drugs to bind to specific sites on proteins,...
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