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Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics

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Intramitochondrial co-assembly between ATP and nucleopeptides induces cancer cell apoptosis

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dc.contributor.author Choi, Huyeon ko
dc.contributor.author Park, Gaeun ko
dc.contributor.author Shin, Eunhye ko
dc.contributor.author Shin, Seon Woo ko
dc.contributor.author Jana, Batakrishna ko
dc.contributor.author Jin, Seongeon ko
dc.contributor.author Kim, Sangpil ko
dc.contributor.author Wang, Huaimin ko
dc.contributor.author Kwak, Sang Kyu ko
dc.contributor.author Xu, Bing ko
dc.contributor.author Ryu, Ja-Hyoung ko
dc.date.available 2022-05-16T02:36:53Z -
dc.date.created 2022-05-13 ko
dc.date.issued 2022-04 ko
dc.identifier.citation CHEMICAL SCIENCE, v.13, no.21, pp.6197 - 6204 ko
dc.identifier.issn 2041-6520 ko
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/58433 -
dc.description.abstract Mitochondria are essential intracellular organelles involved in many cellular processes, especially adenosine triphosphate (ATP) production. Since cancer cells require high ATP levels for proliferation, ATP elimination can be a unique target for cancer growth inhibition. We describe a newly developed mitochondria-targeting nucleopeptide (MNP) that sequesters ATP by self-assembling with ATP inside mitochondria. MNP interacts strongly with ATP through electrostatic and hydrogen bonding interactions. MNP exhibits higher binding affinity for ATP (-637.5 kJ mol(-1)) than for adenosine diphosphate (ADP) (-578.2 kJ mol(-1)). To improve anticancer efficacy, the small-sized MNP/ADP complex formed large assemblies with ATP inside cancer cell mitochondria. ATP sequestration and formation of large assemblies of the MNP/ADP-ATP complex inside mitochondria caused physical stress by large structures and metabolic disorders in cancer cells, leading to apoptosis. This work illustrates a facile approach to developing cancer therapeutics that relies on molecular assemblies. ko
dc.language 영어 ko
dc.publisher ROYAL SOC CHEMISTRY ko
dc.title Intramitochondrial co-assembly between ATP and nucleopeptides induces cancer cell apoptosis ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-85129973468 ko
dc.identifier.wosid 000788179600001 ko
dc.type.rims ART ko
dc.identifier.doi 10.1039/d1sc05738c ko
dc.identifier.url https://pubs.rsc.org/en/content/articlelanding/2022/SC/D1SC05738C ko
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