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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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Title
Intramitochondrial co-assembly between ATP and nucleopeptides induces cancer cell apoptosis
Author
Choi, HuyeonPark, GaeunShin, EunhyeShin, Seon WooJana, BatakrishnaJin, SeongeonKim, SangpilWang, HuaiminKwak, Sang KyuXu, BingRyu, Ja-Hyoung
Issue Date
2022-04
Publisher
ROYAL SOC CHEMISTRY
Citation
CHEMICAL SCIENCE, v.13, no.21, pp.6197 - 6204
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.
URI
https://scholarworks.unist.ac.kr/handle/201301/58433
URL
https://pubs.rsc.org/en/content/articlelanding/2022/SC/D1SC05738C
DOI
10.1039/d1sc05738c
ISSN
2041-6520
Appears in Collections:
CHM_Journal Papers
ECHE_Journal Papers
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