Nat Chem Biol:中科院研究人员发现血栓素A2受体结构揭示抗心血管疾病药物作用机制

2018-12-06 佚名 细胞

近日,中国科学院上海药物研究所在抗心血管疾病药物靶点的结构和功能研究方面取得重要进展——首次测定了血栓素A2受体TP分别与两种抑制剂结合的高分辨率三维结构,揭示了该受体与多种药物分子的相互作用机制,为治疗心血管疾病的药物研发提供了重要的依据。研究成果于伦敦时间12月3日下午16时在国际知名学术期刊Nature Chemical Biology上在线发表。

近日,中国科学院上海药物研究所在抗血管疾病药物靶点的结构和功能研究方面取得重要进展——首次测定了血栓素A2受体TP分别与两种抑制剂结合的高分辨率三维结构,揭示了该受体与多种药物分子的相互作用机制,为治疗血管疾病的药物研发提供了重要的依据。研究成果于伦敦时间12月3日下午16时在国际知名学术期刊Nature Chemical Biology上在线发表。

前列腺素在人体内发挥极为重要的生物学功能,介导细胞增殖、分化和凋亡等重要的生理活动。鉴于前列腺素的重要性,1982年诺贝尔生理学或医学奖授予三位在前列腺素和相关生物活性物质发现中做出突出贡献的科学家。人体内的前列腺素包括前列腺激素PGD2、PGE2、PGF2α、PGI2和血栓素A2,通过与各自的前列腺素受体相互作用发挥功能。前列腺素受体属于G蛋白偶联受体(G-protein-coupled receptor,GPCR)超家族中的脂类受体家族,其中,血栓素A2受体TP在血小板聚集和血管平滑肌细胞收缩等生理过程中发挥关键作用,因此是治疗动脉粥样硬化和高血压等心血管疾病药物的重要靶点。由于TP与其配体分子的作用机制不明,靶向该受体的抗心血管疾病药物开发进展缓慢,候选药物分子普遍存在特异性较差、副作用强等问题。

此次,吴蓓丽和赵强科研团队成功测定了TP分别与非前列腺素类小分子抑制剂雷马曲班(Ramatroban)和达曲班(Daltroban)结合的两个复合物晶体结构,利用氨基酸突变和配体结合实验,并结合以往的化合物结构与活性相关性数据,在原子水平上阐明了TP与这两种抑制剂的精细结合模式,指明了受体分子中对配体识别发挥作用的关键氨基酸。雷马曲班和达曲班都是作为抗心血管疾病药物开发的TP抑制剂,然而其研发进程很不理想,雷马曲班仅在日本被批准为治疗哮喘和过敏性鼻炎的药物,达曲班则止步于临床III期试验阶段。TP与这两种药物分子的复合物结构揭示了这些药物的作用机理,并为靶向该受体的药物设计提供了高精度的结构模板,将极大推动后续的药物优化改造和新型药物研发,以获得药效好、副作用低的药物分子。

研究还发现,TP受体具有一个独特的结构特点,其N端区域和第二个胞外环分别与受体的第三个跨膜螺旋通过二硫键相连,使TP的胞外区域在配体结合口袋的入口处形成一个两层“盖子”结构,这一独特的结构从未在其它GPCR结构中被发现。该“盖子”结构切断了配体从受体的胞外区进入结合口袋的路径,很可能使配体改道经由磷脂双分子层,从TP受体分子侧面第一个和第七个跨膜螺旋之间的缺口进入配体结合位点。这一发现有助于进一步深入理解TP发挥生物学功能的分子机制,并拓展了对于脂类受体的配体识别和结合机制的认识。

为了进一步探究TP及其它前列腺素受体对配体的选择性识别机制,研究人员基于TP受体的晶体结构,针对两种前列腺素类配体SQ-29548和U46619,利用计算机分子对接模拟预测了TP受体中参与结合前列腺素类配体的关键氨基酸。在此基础上,综合运用氨基酸突变、配体结合和细胞信号转导等研究手段,进一步证实了这些关键氨基酸在配体识别和受体活化过程中发挥重要作用。此外,还发现前列腺素受体的第一个和第二个跨膜螺旋通过与前列腺素的中央取代基团结合,对不同前列腺受体选择性识别不同前列腺素起决定作用,而与前列腺素分子两端的侧链基团相互的氨基酸则主要调控受体的激活。这些发现揭示了TP对不同类型药物分子的特异性识别机制,以及不同前列腺素受体对配体的选择性机制,并促进了对于前列腺素受体细胞信号转导机制的深入理解,对于设计高选择性的新型药物具有十分重要的指导意义。

该项研究获得了来自科技部、中国科学院和国家自然科学基金委员会的资助。

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    2019-01-16 gous
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  7. 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2019, time=2019-07-27, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1498504, encodeId=e44c149850435, content=<a href='/topic/show?id=bb6f89e145a' target=_blank style='color:#2F92EE;'>#血管疾病#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=23, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=89714, encryptionId=bb6f89e145a, topicName=血管疾病)], attachment=null, authenticateStatus=null, createdAvatar=null, createdBy=ccb99370406, createdName=andy2090, createdTime=Sat Dec 08 03:53:00 CST 2018, time=2018-12-08, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=354736, encodeId=0cab354e3629, content=学习了谢谢分享, beContent=null, objectType=article, channel=null, level=null, likeNumber=65, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://img.medsci.cn/20220115/46bcf39c32de4aa6b45c5f9d66c8ee77/6cb4a20c55bb4b7691122f47747bfca2.jpg, createdBy=9dad1662329, createdName=1ddf0692m34(暂无匿称), createdTime=Fri Dec 07 12:01:51 CST 2018, time=2018-12-07, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=354643, encodeId=7500354643c3, content=学习了长知识, beContent=null, objectType=article, channel=null, level=null, likeNumber=56, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://img.medsci.cn/20201006/4db877c2887649beb09cb5effd0b38c7/916f66edd48a4e77b20ebc3e14b6e45c.jpg, createdBy=141e1980133, createdName=Y—xianghai, createdTime=Thu Dec 06 13:24:07 CST 2018, time=2018-12-06, status=1, ipAttribution=)]
    2019-07-27 liye789132251
  8. 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  9. 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createdBy=9dad1662329, createdName=1ddf0692m34(暂无匿称), createdTime=Fri Dec 07 12:01:51 CST 2018, time=2018-12-07, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=354643, encodeId=7500354643c3, content=学习了长知识, beContent=null, objectType=article, channel=null, level=null, likeNumber=56, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://img.medsci.cn/20201006/4db877c2887649beb09cb5effd0b38c7/916f66edd48a4e77b20ebc3e14b6e45c.jpg, createdBy=141e1980133, createdName=Y—xianghai, createdTime=Thu Dec 06 13:24:07 CST 2018, time=2018-12-06, status=1, ipAttribution=)]
    2018-12-07 1ddf0692m34(暂无匿称)

    学习了谢谢分享

    0

  10. 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createdAvatar=https://wx.qlogo.cn/mmopen/aLGWoFXAyMbIu3qymFOyheQLjPSX3OUs5GmkyBlcCOwTPIeq3why9NGibxxUqYo6hcx8qZLHZFgNPnBK1yzWeOFpyg2OnWOt0/0, createdBy=fa4716, createdName=仁心济世, createdTime=Sat May 11 06:53:00 CST 2019, time=2019-05-11, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1767574, encodeId=c87c1e6757490, content=<a href='/topic/show?id=64f5343e2f' target=_blank style='color:#2F92EE;'>#Biol#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=31, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=3437, encryptionId=64f5343e2f, topicName=Biol)], attachment=null, authenticateStatus=null, createdAvatar=null, createdBy=446937890434, createdName=12498ebem31暂无昵称, createdTime=Tue Jul 02 09:53:00 CST 2019, time=2019-07-02, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1907588, encodeId=e1dd190e588aa, content=<a href='/topic/show?id=379fe3364c9' target=_blank style='color:#2F92EE;'>#研究人员#</a>, 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2019, time=2019-07-27, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1498504, encodeId=e44c149850435, content=<a href='/topic/show?id=bb6f89e145a' target=_blank style='color:#2F92EE;'>#血管疾病#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=23, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=89714, encryptionId=bb6f89e145a, topicName=血管疾病)], attachment=null, authenticateStatus=null, createdAvatar=null, createdBy=ccb99370406, createdName=andy2090, createdTime=Sat Dec 08 03:53:00 CST 2018, time=2018-12-08, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=354736, encodeId=0cab354e3629, content=学习了谢谢分享, beContent=null, objectType=article, channel=null, level=null, likeNumber=65, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://img.medsci.cn/20220115/46bcf39c32de4aa6b45c5f9d66c8ee77/6cb4a20c55bb4b7691122f47747bfca2.jpg, createdBy=9dad1662329, createdName=1ddf0692m34(暂无匿称), createdTime=Fri Dec 07 12:01:51 CST 2018, time=2018-12-07, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=354643, encodeId=7500354643c3, content=学习了长知识, beContent=null, objectType=article, channel=null, level=null, likeNumber=56, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://img.medsci.cn/20201006/4db877c2887649beb09cb5effd0b38c7/916f66edd48a4e77b20ebc3e14b6e45c.jpg, createdBy=141e1980133, createdName=Y—xianghai, createdTime=Thu Dec 06 13:24:07 CST 2018, time=2018-12-06, status=1, ipAttribution=)]
    2018-12-06 Y—xianghai

    学习了长知识

    0