基于吲哚的恶二唑与来自……的H结合蛋白的分子对接分析
Molecular docking analysis of Indole based oxadiazoles with the H-binding protein from .
作者信息
Kumaran Poojitha, Rengasamy Gayathri, Sekaran Surya, Sankaran Kavitha, Veeraraghavan Vishnu Priya, Eswaramoorthy Rajalakshmanan
机构信息
Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Science (SIMATS), Saveetha University, Chennai-600077, India.
Department of Biomaterials (Green lab), Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Science (SIMATS), Saveetha University, Chennai-600077, India.
出版信息
Bioinformation. 2023 Jan 31;19(1):79-84. doi: 10.6026/97320630019079. eCollection 2023.
is a gram-negative bacteria that is associated with periodontal diseases. Literature derived, six indole based oxadiazole derivatives are docked with the target Factor H binding protein (fHbp) protein. Results show better docking interaction compared to clinically proven drugs and all compounds obey Lipinski's rule of five. Hence, the compounds were inferred to be potential inhibitors for factor H binding protein of .
是一种与牙周疾病相关的革兰氏阴性菌。从文献中获取的六种基于吲哚的恶二唑衍生物与目标因子H结合蛋白（fHbp）进行对接。结果显示，与临床验证药物相比，对接相互作用更好，且所有化合物均符合Lipinski的五规则。因此，推断这些化合物是……因子H结合蛋白的潜在抑制剂。
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