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


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

DC Field Value Language Choi, Huyeon ko Park, Gaeun ko Shin, Eunhye ko Shin, Seon Woo ko Jana, Batakrishna ko Jin, Seongeon ko Kim, Sangpil ko Wang, Huaimin ko Kwak, Sang Kyu ko Xu, Bing ko Ryu, Ja-Hyoung ko 2022-05-16T02:36:53Z - 2022-05-13 ko 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 -
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 ko
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