Small molecule activator of Nm23/NDPK as an inhibitor of metastasis
Nm23-H1/NDPK-A is a tumor metastasis suppressor having NDP kinase (NDPK) activity. Nm23-H1 is positively associated with prolonged disease-free survival and good prognosis of cancer patients. Approaches to increasing the cellular levels of Nm23-H1 therefore have significance in the therapy of metast...
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| Veröffentlicht in: | Scientific reports 2018-07, Vol.8 (1), p.10909-13, Article 10909 |
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| creator | Lee, Jae-Jin Kim, Hwang Suk Lee, Ji-Sun Park, Jimin Shin, Sang Chul Song, Soonwha Lee, Eunsun Choi, Jung-Eun Suh, Ji-Wan Lee, Hongsoo Kim, Eunice EunKyeong Seo, Eun Kyoung Shin, Dong Hae Lee, Ho-Young Lee, Hee-Yoon Lee, Kong-Joo |
| description | Nm23-H1/NDPK-A is a tumor metastasis suppressor having NDP kinase (NDPK) activity. Nm23-H1 is positively associated with prolonged disease-free survival and good prognosis of cancer patients. Approaches to increasing the cellular levels of Nm23-H1 therefore have significance in the therapy of metastatic cancers. We found a small molecule, (±)-trans-3-(3,4-dimethoxyphenyl)-4-[(E)-3,4-dimethoxystyryl]cyclohex-1-ene, that activates Nm23, hereafter called NMac1. NMac1 directly binds to Nm23-H1 and increases its NDPK activity. Employing various NMac1 derivatives and hydrogen/deuterium mass spectrometry (HDX-MS), we identified the pharmacophore and mode of action of NMac1. We found that NMac1 binds to the C-terminal of Nm23-H1 and induces the NDPK activation through its allosteric conformational changes. NMac1-treated MDA-MB-231 breast cancer cells showed dramatic changes in morphology and actin-cytoskeletal organization following inhibition of Rac1 activation. NMac1 also suppressed invasion and migration
in vitro
, and metastasis
in vivo
, in a breast cancer mouse model. NMac1 as an activator of NDPK has potential as an anti-metastatic agent. |
| doi_str_mv | 10.1038/s41598-018-29101-6 |
| format | Article |
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in vitro
, and metastasis
in vivo
, in a breast cancer mouse model. NMac1 as an activator of NDPK has potential as an anti-metastatic agent.</description><identifier>ISSN: 2045-2322</identifier><identifier>EISSN: 2045-2322</identifier><identifier>DOI: 10.1038/s41598-018-29101-6</identifier><identifier>PMID: 30026594</identifier><language>eng</language><publisher>London: Nature Publishing Group UK</publisher><subject>101/58 ; 13 ; 13/1 ; 13/106 ; 59 ; 631/154/556 ; 631/80/84 ; 631/92/556 ; 631/92/609 ; 64 ; 82 ; 82/103 ; 82/16 ; 82/29 ; 82/80 ; 96/63 ; Actin ; Allosteric properties ; Breast cancer ; Cytoskeleton ; Deuterium ; Humanities and Social Sciences ; Mass spectrometry ; Mass spectroscopy ; Medical prognosis ; Metastases ; Metastasis ; Mode of action ; multidisciplinary ; Nucleoside-diphosphate kinase ; Rac1 protein ; Science ; Science (multidisciplinary)</subject><ispartof>Scientific reports, 2018-07, Vol.8 (1), p.10909-13, Article 10909</ispartof><rights>The Author(s) 2018</rights><rights>2018. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c474t-2f8b442a7f014b538e6bd62503d903dc18a8df8a15da187a331bbd66b96e321c3</citedby><cites>FETCH-LOGICAL-c474t-2f8b442a7f014b538e6bd62503d903dc18a8df8a15da187a331bbd66b96e321c3</cites><orcidid>0000-0002-3558-2894</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC6053448/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC6053448/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,864,885,27924,27925,41120,42189,51576,53791,53793</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/30026594$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Lee, Jae-Jin</creatorcontrib><creatorcontrib>Kim, Hwang Suk</creatorcontrib><creatorcontrib>Lee, Ji-Sun</creatorcontrib><creatorcontrib>Park, Jimin</creatorcontrib><creatorcontrib>Shin, Sang Chul</creatorcontrib><creatorcontrib>Song, Soonwha</creatorcontrib><creatorcontrib>Lee, Eunsun</creatorcontrib><creatorcontrib>Choi, Jung-Eun</creatorcontrib><creatorcontrib>Suh, Ji-Wan</creatorcontrib><creatorcontrib>Lee, Hongsoo</creatorcontrib><creatorcontrib>Kim, Eunice EunKyeong</creatorcontrib><creatorcontrib>Seo, Eun Kyoung</creatorcontrib><creatorcontrib>Shin, Dong Hae</creatorcontrib><creatorcontrib>Lee, Ho-Young</creatorcontrib><creatorcontrib>Lee, Hee-Yoon</creatorcontrib><creatorcontrib>Lee, Kong-Joo</creatorcontrib><title>Small molecule activator of Nm23/NDPK as an inhibitor of metastasis</title><title>Scientific reports</title><addtitle>Sci Rep</addtitle><addtitle>Sci Rep</addtitle><description>Nm23-H1/NDPK-A is a tumor metastasis suppressor having NDP kinase (NDPK) activity. Nm23-H1 is positively associated with prolonged disease-free survival and good prognosis of cancer patients. Approaches to increasing the cellular levels of Nm23-H1 therefore have significance in the therapy of metastatic cancers. We found a small molecule, (±)-trans-3-(3,4-dimethoxyphenyl)-4-[(E)-3,4-dimethoxystyryl]cyclohex-1-ene, that activates Nm23, hereafter called NMac1. NMac1 directly binds to Nm23-H1 and increases its NDPK activity. Employing various NMac1 derivatives and hydrogen/deuterium mass spectrometry (HDX-MS), we identified the pharmacophore and mode of action of NMac1. We found that NMac1 binds to the C-terminal of Nm23-H1 and induces the NDPK activation through its allosteric conformational changes. NMac1-treated MDA-MB-231 breast cancer cells showed dramatic changes in morphology and actin-cytoskeletal organization following inhibition of Rac1 activation. NMac1 also suppressed invasion and migration
in vitro
, and metastasis
in vivo
, in a breast cancer mouse model. NMac1 as an activator of NDPK has potential as an anti-metastatic agent.</description><subject>101/58</subject><subject>13</subject><subject>13/1</subject><subject>13/106</subject><subject>59</subject><subject>631/154/556</subject><subject>631/80/84</subject><subject>631/92/556</subject><subject>631/92/609</subject><subject>64</subject><subject>82</subject><subject>82/103</subject><subject>82/16</subject><subject>82/29</subject><subject>82/80</subject><subject>96/63</subject><subject>Actin</subject><subject>Allosteric properties</subject><subject>Breast cancer</subject><subject>Cytoskeleton</subject><subject>Deuterium</subject><subject>Humanities and Social Sciences</subject><subject>Mass spectrometry</subject><subject>Mass spectroscopy</subject><subject>Medical prognosis</subject><subject>Metastases</subject><subject>Metastasis</subject><subject>Mode of action</subject><subject>multidisciplinary</subject><subject>Nucleoside-diphosphate kinase</subject><subject>Rac1 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Park, Jimin ; Shin, Sang Chul ; Song, Soonwha ; Lee, Eunsun ; Choi, Jung-Eun ; Suh, Ji-Wan ; Lee, Hongsoo ; Kim, Eunice EunKyeong ; Seo, Eun Kyoung ; Shin, Dong Hae ; Lee, Ho-Young ; Lee, Hee-Yoon ; Lee, Kong-Joo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c474t-2f8b442a7f014b538e6bd62503d903dc18a8df8a15da187a331bbd66b96e321c3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>101/58</topic><topic>13</topic><topic>13/1</topic><topic>13/106</topic><topic>59</topic><topic>631/154/556</topic><topic>631/80/84</topic><topic>631/92/556</topic><topic>631/92/609</topic><topic>64</topic><topic>82</topic><topic>82/103</topic><topic>82/16</topic><topic>82/29</topic><topic>82/80</topic><topic>96/63</topic><topic>Actin</topic><topic>Allosteric properties</topic><topic>Breast cancer</topic><topic>Cytoskeleton</topic><topic>Deuterium</topic><topic>Humanities and Social Sciences</topic><topic>Mass spectrometry</topic><topic>Mass spectroscopy</topic><topic>Medical prognosis</topic><topic>Metastases</topic><topic>Metastasis</topic><topic>Mode of action</topic><topic>multidisciplinary</topic><topic>Nucleoside-diphosphate kinase</topic><topic>Rac1 protein</topic><topic>Science</topic><topic>Science (multidisciplinary)</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lee, Jae-Jin</creatorcontrib><creatorcontrib>Kim, Hwang Suk</creatorcontrib><creatorcontrib>Lee, Ji-Sun</creatorcontrib><creatorcontrib>Park, Jimin</creatorcontrib><creatorcontrib>Shin, Sang Chul</creatorcontrib><creatorcontrib>Song, Soonwha</creatorcontrib><creatorcontrib>Lee, Eunsun</creatorcontrib><creatorcontrib>Choi, Jung-Eun</creatorcontrib><creatorcontrib>Suh, Ji-Wan</creatorcontrib><creatorcontrib>Lee, Hongsoo</creatorcontrib><creatorcontrib>Kim, Eunice EunKyeong</creatorcontrib><creatorcontrib>Seo, Eun Kyoung</creatorcontrib><creatorcontrib>Shin, Dong Hae</creatorcontrib><creatorcontrib>Lee, Ho-Young</creatorcontrib><creatorcontrib>Lee, Hee-Yoon</creatorcontrib><creatorcontrib>Lee, Kong-Joo</creatorcontrib><collection>Springer Nature OA Free Journals</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Health & Medical Collection</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Biology Database (Alumni Edition)</collection><collection>Medical Database (Alumni Edition)</collection><collection>Science Database (Alumni Edition)</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Natural Science Collection</collection><collection>Hospital Premium Collection</collection><collection>Hospital Premium Collection (Alumni Edition)</collection><collection>ProQuest Central (Alumni) (purchase pre-March 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inhibitor of metastasis</atitle><jtitle>Scientific reports</jtitle><stitle>Sci Rep</stitle><addtitle>Sci Rep</addtitle><date>2018-07-19</date><risdate>2018</risdate><volume>8</volume><issue>1</issue><spage>10909</spage><epage>13</epage><pages>10909-13</pages><artnum>10909</artnum><issn>2045-2322</issn><eissn>2045-2322</eissn><abstract>Nm23-H1/NDPK-A is a tumor metastasis suppressor having NDP kinase (NDPK) activity. Nm23-H1 is positively associated with prolonged disease-free survival and good prognosis of cancer patients. Approaches to increasing the cellular levels of Nm23-H1 therefore have significance in the therapy of metastatic cancers. We found a small molecule, (±)-trans-3-(3,4-dimethoxyphenyl)-4-[(E)-3,4-dimethoxystyryl]cyclohex-1-ene, that activates Nm23, hereafter called NMac1. NMac1 directly binds to Nm23-H1 and increases its NDPK activity. Employing various NMac1 derivatives and hydrogen/deuterium mass spectrometry (HDX-MS), we identified the pharmacophore and mode of action of NMac1. We found that NMac1 binds to the C-terminal of Nm23-H1 and induces the NDPK activation through its allosteric conformational changes. NMac1-treated MDA-MB-231 breast cancer cells showed dramatic changes in morphology and actin-cytoskeletal organization following inhibition of Rac1 activation. NMac1 also suppressed invasion and migration
in vitro
, and metastasis
in vivo
, in a breast cancer mouse model. NMac1 as an activator of NDPK has potential as an anti-metastatic agent.</abstract><cop>London</cop><pub>Nature Publishing Group UK</pub><pmid>30026594</pmid><doi>10.1038/s41598-018-29101-6</doi><tpages>13</tpages><orcidid>https://orcid.org/0000-0002-3558-2894</orcidid><oa>free_for_read</oa></addata></record> |
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| subjects | 101/58 13 13/1 13/106 59 631/154/556 631/80/84 631/92/556 631/92/609 64 82 82/103 82/16 82/29 82/80 96/63 Actin Allosteric properties Breast cancer Cytoskeleton Deuterium Humanities and Social Sciences Mass spectrometry Mass spectroscopy Medical prognosis Metastases Metastasis Mode of action multidisciplinary Nucleoside-diphosphate kinase Rac1 protein Science Science (multidisciplinary) |
| title | Small molecule activator of Nm23/NDPK as an inhibitor of metastasis |
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