Identification of HER2 inhibitors from curcumin derivatives using combination of <i>in silico</i> screening and molecular dynamics simulation.

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作者： Oluwatosin A,Saibu ^[1] ; Gagandeep,Singh ^[2] ; Sunday A,Olugbodi ^[3] ; Adenrele T,Oluwafemi ^[1] ; Temitope M,Ajayi ^[4] ; Sodiq O,Hammed ^[4] ; Oladapo O,Oladipo ^[5] ; Tope T,Odunitan ^[5] ; Damilola A,Omoboyowa ^[4]

作者单位： Department of Environmental Toxicology, Universitat Duisburg-Essen, North Rhine-Westphalia, Germany. ^[1] Section of Microbiology, Central Ayurveda Research Institute, Jhansi, Uttar Pradesh, India. ^[2] Kusuma School of Biological Sciences, Indian Institute of Technology, Delhi, New Delhi, India. ^[3] Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria. ^[4] Department of Physiology, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria. ^[5] Department of Biochemistry, Adekunle Ajasin University, Ondo State, Nigeria. ^[6]

关键词 HER2 breast cancer curcumin in silico molecular simulation

主题词女(雌)性(Female);人类(Humans);分子动力学模拟(Molecular Dynamics Simulation);姜黄素(Curcumin);配体(Ligands);乳腺肿瘤(Breast Neoplasms)

DOI 10.1080/07391102.2023.2175260

PMID 36752338

发布时间 2023-12-05

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