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연구자들이 자신의 연구와 전문성을 널리 알리고, 새로운 협력의 기회를 만들 수 있는 네트워킹 공간이에요.
논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 발행연도
- 2019.1
- 수록면
- 260 - 268 (9page)
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초록· 키워드
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For fragment-based cancer drug discovery, we introduced a molecular docking simulation combined with a protein chip assay. Protein chip technology was used to find fragment-hits that had inhibitory activity against Bcl-2 protein from 131 pre-selected fragment chemicals. Molecular docking simulation was performed for the 12 identified fragment-hits to establish the binding mode of these compounds in the Bcl-2 site. Using the molecular docking-assisted protein chip screening system, we derived a virtual compound structure with an important scaffold feature for interaction with the Bcl-2 protein. We then tested the anticancer activity of 26 compounds that were similar to the scaffold structure. The anticancer activity was confirmed by MTT-assay in A549 lung cancer cells. Finally, three chemicals showed dose-dependent inhibitory activity against cancer cell proliferation. We suggest that the present molecular docking-assisted protein chip assay can be used as a platform technology in the fragment-based drug development process to discover inhibitory agents of protein-protein interactions.
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등록된 정보가 없습니다.
참고문헌 (37)
참고문헌 신청
Gotwals, P. / 2017 / Prospects for combining targeted and conventional cancer therapy with immunotherapy / Nat. Rev. Cancer 17:286~301
Sawyers, C. / 2004 / Targeted cancer therapy / Nature 432:294~297
Saglio, G. / 2010 / Nilotinib versus imatinib for newly diagnosed chronic myeloid leukemia / N. Engl. J. Med 362:2251~2259
Mendelsohn, J. / 2000 / The EGF receptor family as targets for cancer therapy / Oncogene 19:6550~6565
Shepherd, F.A. / 2005 / Erlotinib in previously treated non-small-cell lung cancer / N. Engl. J. Med 353:123~132
Sawyers, C. / 2004 / Targeted cancer therapy / Nature 432:294~297
Saglio, G. / 2010 / Nilotinib versus imatinib for newly diagnosed chronic myeloid leukemia / N. Engl. J. Med 362:2251~2259
Mendelsohn, J. / 2000 / The EGF receptor family as targets for cancer therapy / Oncogene 19:6550~6565
Shepherd, F.A. / 2005 / Erlotinib in previously treated non-small-cell lung cancer / N. Engl. J. Med 353:123~132
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