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Updated: Jun 23, 2025

Methods for the Discovery of Novel Compounds Modulating a Gamma-Aminobutyric Acid Receptor Type A Neurotransmission
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通过基于对接的虚拟选,分子动力学模拟,结合自由能计算和DeLA药物分析来识别人类GPD1的潜在调节器

Anzheng Hu1, Hongwei Chen1, Wenwei Pang1

  • 1Guangxi Key Laboratory of Special Biomedicine, School of Medicine, Guangxi University, Nanning, 530004, Guangxi, China.

Scientific reports
|June 19, 2024
PubMed
概括

研究人员确定了潜在的药物候选者,这些药物针对甘-3-酸盐脱酶1 (GPD1). 这种酶对葡萄糖代谢至关重要,与癌症和亨廷顿病等疾病有关,为治疗提供了新的途径.

关键词:
有约束力的免费能源计算.在 GPD1 中,GPD1 是 GPD1.分子对接是分子对接.分子动力学模拟模型虚拟选是一个虚拟的选.

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