Structure and ligand-based drug discovery of IL-4 inhibitors via interaction-energy-based learning approaches.

导出 LinkOut

翻译打印收藏纠错

第一作者： Sehrish,Naz

第一单位： Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan.

作者： Sehrish,Naz ^[1] ; Sajda,Ashraf ^[1] ; Mohammad K,Parvez ^[2] ; Mohammed S,Al-Dosari ^[2] ; Zaheer,Ul-Haq ^[1]

作者单位： Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan. ^[1] Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Kingdom of Saudi Arabia. ^[2]

关键词 IL-4 inhibitors binding free energy calculation via MM-GBSA method protein-ligand interaction fingerprints score-based virtual screening structure and ligand-based screening

主题词生物制品(Biological Products);药物发现(Drug Discovery);白细胞介素4(Interleukin-4);配体(Ligands);分子动力学模拟(Molecular Dynamics Simulation);蛋白质结合(Protein Binding)

DOI 10.1080/07391102.2021.1886172

PMID 33618633

发布时间 2022-10-12

翻译满意度评价：

准确一般字义偏差语意偏离译文作用小提交