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计算机辅助复方苦参注射液中抑制p21活化激酶1的活性成分预测及分子机制研究
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作者 林琳 常静杰 +1 位作者 田耀洲 陈姣 《生物医学工程学杂志》 EI CAS 北大核心 2024年第2期313-320,共8页
靶向p21活化激酶1(PAK1)是胰腺癌治疗的新策略。复方苦参注射液中含有多种抗胰腺癌成分,但具体作用靶点未知。本研究基于分子对接的虚拟筛选发现,复方苦参注射液中的14α-羟基苦参碱与PAK1的别构调节位点具有较高的结合自由能。分子动... 靶向p21活化激酶1(PAK1)是胰腺癌治疗的新策略。复方苦参注射液中含有多种抗胰腺癌成分,但具体作用靶点未知。本研究基于分子对接的虚拟筛选发现,复方苦参注射液中的14α-羟基苦参碱与PAK1的别构调节位点具有较高的结合自由能。分子动力学模拟发现,14α-羟基苦参碱使PAK1的α1和α2螺旋向外延伸形成一个较深的别构调节口袋,同时诱导三磷酸腺苷(ATP)结合口袋处的β-折叠向内关闭,导致ATP结合口袋处于“半闭合”状态而失活。当去除14α-羟基苦参碱后,PAK1从失活构象向活性构象转变,因此推测,14α-羟基苦参碱可能是PAK1的可逆别构调节抑制剂。本研究采用现代技术方法对中药活性成分进行研究,为天然产物的开发利用及寻找新的胰腺癌治疗方案奠定基础。 展开更多
关键词 复方苦参注射液 p21活化激酶1 14α-羟基苦参碱 胰腺癌 分子对接 分子动力学模拟
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Three-dimensional culture system enhance the differentiation of mesenchymal stem cells into neural cells in vitro
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作者 Ma Xinyu chang jingjie +1 位作者 Guo Lina Wang Xuili 《解剖学杂志》 CAS 2021年第S01期213-214,共2页
Nerve injury repair has been an intractable issue wor.ldwide due to the non-renew able property of neurons in vivo.Cell therapy adopting me senchymal stem cells(MSC)induced neurons stands for a promising substitute tr... Nerve injury repair has been an intractable issue wor.ldwide due to the non-renew able property of neurons in vivo.Cell therapy adopting me senchymal stem cells(MSC)induced neurons stands for a promising substitute treatment,which is hindered by the low diffe rentiation efficiency of current approaches.To improve the efficiency of MSC differentiation in vitro,we constructed a three-dimensional(3D)culture system by seeding human bone marrow-de rived MSC(hBMSCs)into collagen-nano fiber scaffolds which are a mixed hydrogel of collagen 1 and silk nanofiber solution and testified the diffe rentiation efficiency from MSC into neurons by chemical or cocktail induction methods.Results indicated MSCs cultured in 3D system showed good viability with neuron-like morphology in both groups. 展开更多
关键词 CULTURE system NEURAL
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