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Adv. Mater., Dec 24 2024, | https://doi.org/10.1002/adma.202414356
Ligand Inter-Relation Analysis Via Graph Theory Predicts Macrophage Response
Nayeon Kang 1, Jangsun Hwang 2, Daun Jeong 2, Ji Hye Choi 2, Ramar Thangam 1, Sunhong Min 1, Hyunsik Hong 1, Dahee Kim 1, Hyunji Rha 1, Sungkyu Lee 1, Hwapyung Jung 1, Taeeon Kim 3,4, Iman Zare 5, Hee Joon Jung 6, Alireza Hassani Najafabadi 7, Hyun-Do Jung 8, Kunyu Zhang 9, Pengchao Zhao 9, Liming Bian 9, Hong-Kyu Kim 10, Jong Seung Kim 11, Guosheng Song 12, Juyoung Yoon 13, Sung-Gyu Park 3,4, Woo Young Jang 2, Heemin Kang 1,4,14
1Department of Materials Science and Engineering, Korea University, Seoul, 02841, Republic of Korea.
2Department of Orthopedic Surgery, Korea University Anam Hospital, Seoul, 02841, Republic of Korea.
3Department of Nano-Bio Convergence, Korea Institute of Materials Science (KIMS), Changwon, Gyeongnam, 51508, Republic of Korea.
4Department of Future Convergence Materials, Korea University, Seoul, 02841, Republic of Korea.
5Research and Development Department, Sina Medical Biochemistry Technologies Co. Ltd., Shiraz, 7178795844, Iran.
6Interdisciplinary Materials Measurements Institute, Korea Research Institute of Standards and Science (KRISS), Daejeon, 34113, Republic of Korea.
7Terasaki Institute for Biomedical Innovation, Los Angeles, CA, 90064, USA.
8Division of Materials Science and Engineering, Hanyang University, Seoul, 04763, Republic of Korea.
9School of Biomedical Sciences and Engineering, Guangzhou International Campus, South China University of Technology, Guangzhou, 511442, China.
10Advanced Analysis Center, Korea Institute of Science and Technology (KIST), Seoul, 02792, Republic of Korea.
11Department of Chemistry, Korea University, Seoul, 02841, Republic of Korea.
12State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha, 410082, China.
13Department of Chemistry and Nanoscience, Ewha Womans University, Seoul, 03760, Republic of Korea.
14College of Medicine, Korea University, Seoul, 02841, Republic of Korea.
N.K., J.H., D.J., and J.H.C. contributed equally to this work.
Corresponding Authors: Taek Dong Chung, Kyung-Mi Lee, Jeong-Yun Sun
1Department of Materials Science and Engineering, Korea University, Seoul, 02841, Republic of Korea.
2Department of Orthopedic Surgery, Korea University Anam Hospital, Seoul, 02841, Republic of Korea.
3Department of Nano-Bio Convergence, Korea Institute of Materials Science (KIMS), Changwon, Gyeongnam, 51508, Republic of Korea.
4Department of Future Convergence Materials, Korea University, Seoul, 02841, Republic of Korea.
5Research and Development Department, Sina Medical Biochemistry Technologies Co. Ltd., Shiraz, 7178795844, Iran.
6Interdisciplinary Materials Measurements Institute, Korea Research Institute of Standards and Science (KRISS), Daejeon, 34113, Republic of Korea.
7Terasaki Institute for Biomedical Innovation, Los Angeles, CA, 90064, USA.
8Division of Materials Science and Engineering, Hanyang University, Seoul, 04763, Republic of Korea.
9School of Biomedical Sciences and Engineering, Guangzhou International Campus, South China University of Technology, Guangzhou, 511442, China.
10Advanced Analysis Center, Korea Institute of Science and Technology (KIST), Seoul, 02792, Republic of Korea.
11Department of Chemistry, Korea University, Seoul, 02841, Republic of Korea.
12State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha, 410082, China.
13Department of Chemistry and Nanoscience, Ewha Womans University, Seoul, 03760, Republic of Korea.
14College of Medicine, Korea University, Seoul, 02841, Republic of Korea.
N.K., J.H., D.J., and J.H.C. contributed equally to this work.
Corresponding Authors: Taek Dong Chung, Kyung-Mi Lee, Jeong-Yun Sun
Abstract
Graph theory has been widely used to quantitatively analyze complex networks of molecules, materials, and cells. Analyzing the dynamic complex structure of extracellular matrix can predict cell-material interactions but has not yet been demonstrated. In this study, graph theory-based mathematical modeling of RGD ligand graph inter-relation is demonstrated by differentially cutting off RGD-to-RGD interlinkages with flexibly conjugated magnetic nanobars (MNBs) with tunable aspect ratio. The RGD-to-RGD interlinkages are less effectively cut off by MNBs with a lower aspect ratio, which decreases the shortest path while increasing the number of instances thereof, thereby augmenting RGD nano inter-relation. This facilitates integrin recruitment of macrophages and thus actin fiber assembly and vinculin expression, which mediates pro-regenerative polarization, involving myosin II, actin polymerization, and rho-associated protein kinase. Unidirectional pre-aligning or reversibly lifting highly elongated MNBs both increase RGD nano inter-relation, which promotes host macrophage adhesion and switches their polarization from pro-inflammatory to pro-regenerative phenotype. The latter approach produces nano-spaces through which macrophages can penetrate and establish RGD links thereunder. Using graph theory, this study presents the example of mathematically modeling the functionality of extracellular-matrix-mimetic materials, which can help elucidate complex dynamics of the interactions occurring between host cells and materials via versatile geometrical nano-engineering.
논문정보
- Research article
- 2024년 12월 (BRIC 등록일 2025-01-03)
- 국내(교신)+국외 연구진
- 바이오·의료융합 > 바이오센싱 및 나노바이오물질
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