|
|
|
题名
|
作者
|
年代
|
出处
|
被引量
|
| 1 | A scaled quantum mechanical force field for hexachloryclophosphazene trimer (NPCI)3 显示文摘 | ELASS A VERGOTEN G DHAMELINCOURT P | 1997 | Electronic Journal of Theoretical Chemistry1997，，： | 1 |
| 2 | Binding Specificity of Recombinant Odorant-Binding Protein Isoforms is Driven by Phosphorylation显示文摘 | Fanny Brimau Jean-Paul Cornard Chrystelle Le Danvic Philippe Lagant Gerard Vergoten Denise Grebert Edith Pajot Patricia Nagnan-Le Meillour | 2010 | Journal of Chemical Ecology2010，，8： | 1 |
| 3 | Modified UBFF calculations of the a-L-fucopyranose molecule in the crystalline state显示文摘 | Rahal-Sekkal M Vergoten G | 2003 | Spectrochimica Acta Part A2003，59，1： | 1 |
| 4 | Use of the resonance Raman intensities to check the density functional theory derived force field of the free base porphine显示文摘 | Tazi M Lagant P Vergoten G | 2000 | J Phys Chem A2000，104，： | 1 |
| 5 | Vibrational- Spectra of 4-Methylimidazole - Assignment of Modes and Calculation of Raman and Resonance Raman Intensities at the Ab-Initio 6-31g Level 显示文摘 | Majoube M P Millie G Vergoten | 1995 | Journal of Molecular Structure1995，344，12： | 1 |
| 6 | Over-sulfated glycosamin- oglycans are ahemative selectin ligands: insights into molecular inter- actions and possible role in breast cancer metastasis 显示文摘 | Martinez P Vergoten G Colomb F | 2013 | Clin Exp Metastasis2013，30，7： | 1 |
| 7 | Phytamp:a database dedicated to plant antimicrobial peptides显示文摘 | Hammami R Hamida J B Vergoten G | 2009 | Nucleic Acids Res2009，37，： | 1 |
| 8 | PhytA MP:a database dedicated to antimicrobial plant peptides显示文摘 | Hammami R Hamida J B Vergoten G | 2009 | Nucleic Acids Research2009，，： | 1 |
| 9 | Anticancer Properties and Mechanism of Action of Oblongifolin C,Guttiferone K and Related Polyprenylated Acylphloroglucinols显示文摘Polyprenylated acylphloroglucinols represent an important class of natural products found in many plants.Among them,the two related products oblongifolin C(Ob-C)and guttiferone K(Gt-K)isolated from Garcinia species(notably from edible fruits),have attracted attention due to their marked anticancer properties.The two compounds only differ by the nature of the C-6 side chain,prenyl(Gt-K)or geranyl(Ob-C)on the phloroglucinol core.Their origin,method of extraction and biological properties are presented here,with a focus on the targets and pathways implicated in their anticancer activities.Both compounds markedly reduce cancer cell proliferation in vitro,as well as tumor growth and metastasis in vivo.They are both potent inducer of tumor cell apoptosis,and regulation of autophagy flux is a hallmark of their mode of action.The distinct mechanism leading to autophagosome accumulation in cells and the implicated molecular targets are discussed.The specific role of the chaperone protein HSPA8,known to interact with Ob-C,is addressed.Molecular models of Gt-K and Ob-C bound to HSPA8 provide a structural basis to their common HSPA8-binding recognition capacity.The review shed light on the mechanism of action of these compounds,to encourage their studies and potential development. | Christian Bailly Gérard Vergoten | 2021 | Natural Products and Bioprospecting2021，11，6： | 0 |
| 10 | 生物碱bouchardatine及orirenierine与组蛋白去乙酰化酶1(SIRT1)结合的分子建模研究显示文摘目的Bouchardatine(1)是从植物Bouchardatia neurococca中分离得到的一种β-吲哚喹唑啉生物碱,可作为脂肪生成的一种调节剂及一种抗癌药。天然产物作为蛋白腺苷5'-单磷酸(AMP)活化蛋白激酶(AMPK)和组蛋白去乙酰化酶1(SIRT1)的激活剂发挥作用。我们利用分子模型研究了化合物1和各种结构类似物的SIRT1结合能力,如从药用植物Oriciarenieri中分离得到的orirenierine A(2)和orirenierine B(3)。方法我们研究了包括β-吲哚喹唑啉生物碱1−3和类似物在内的25种天然产物与人源组蛋白去乙酰化酶1(hSIRT1)的结合,并与参比产物去乙酰化酶(R和S异构体)进行了比较。从hSIRT1催化结构域的闭合和开放状态构象(PDB结构:4KXQ和4IG9)开始阐述去乙酰化酶结合模型。对于与SIRT1结合的每种化合物,我们计算了相互作用的经验能量(ΔE),并与去乙酰化酶进行比较。结果在我们的模型中,发现化合物1与SIRT1的去乙酰化酶位点适度结合。相反,喹唑啉酮部分7位酚羟基表现出更高的结合能力。化合物2提供的SIRT1蛋白复合物与去乙酰化酶观察到的一样稳定。用甲氧基(3)取代羟基取代基(2)降低了SIRT1的结合能力。我们还鉴定了其他SIRT1结合的天然产物,如生物碱orisuaveolines A和B,并讨论了结构结合关系。结论本研究强调了β-吲哚喹唑啉生物碱与SIRT1相互作用的能力。这种去乙酰化酶可以代表生物碱2的分子靶标。这种化合物在设计对SIRT1依赖性病理有活性的药物研究方面值得进一步关注。 | Gérard Vergoten Christian Bailly | 2022 | Digital Chinese Medicine2022，5，3： | 0 |
| 11 | 木果楝亭与糖原合成酶激酶-3β结合的分子对接研究显示文摘目的木果楝是一种红树林树木,其在多个亚洲国家作为药用植物被用于治疗多种疾病。已经从该植物中分离出许多具有生物活性的天然产物,特别是几类柠檬苦素类似物,包括18种木果楝亭(Xyl-A至R),均具有柠檬苦素类似物中常见的呋喃-δ-内酯核心。基于与柠檬苦素类似物黄柏酮和葛杜宁的结构相似性,我们假设木果楝亭可以靶向结合糖原合成酶激酶-3β(GSK-3β),该激酶是治疗神经退行性病变、病毒感染和癌症的主要靶点。方法通过分子对接技术研究18种木果楝亭与GSK-3β的结合,并与两种已知的参照物GSK-3βATP竞争性抑制剂LY2090314和AR-A014418进行比较。对于与GSK-3β结合的每种化合物,计算经验相互作用能(ΔE),并与靶向这种酶的已知GSK-3β抑制剂和柠檬苦素样三萜类获得的ΔE进行比较。结果五种化合物Xyl-A、-C、-J、-N和-O被确定为潜在的GSK-3β结合剂,其计算的ΔE相当于使用最佳参照分子ARA014418计算出的ΔE。最佳配体是Xyl-C,已知它具有显著的抗癌特性。Xyl-C与GSK-3β的ATP结合袋结合将呋喃-δ-内酯单位定位在结合位点空腔的深处。其他带有中心吡啶环或紧密多环结构的木果楝亭衍生物不太适合与GSK-3β结合。本研究同时讨论了结构绑定关系。结论GSK-3β可能有助于木果楝提取物发挥抗癌作用。本研究为鉴定其他含呋喃-δ-内酯的柠檬苦素类似物作为GSK-3β调节剂奠定了基础。 | Christian Baillya Gérard Vergoten | 2022 | Digital Chinese Medicine2022，5，1： | 0 |
您所在的机构暂未开通此部分的功能，请联系管理员