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Ushbu kanal talabalarda kompyuterda modellashtirish ko’nikmalarini hosil qilish va kelajakda sohada yetuk kadrlar tayyorlashni maqsad qilgan.
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🔬 Exciting News from Our Recent Paper! 🔬

📚 Title: In silico study of the impact of oxidation on pyruvate transmission across the hVDAC1 protein channel

Our recently published paper delves into the fascinating realm of cancer cell metabolism, focusing on the pivotal role of Voltage Dependent Anion Channels (VDACs), particularly VDAC1. Here's a snapshot of our findings:

🔍 Objective: Investigating the Effect of Low-Level VDAC1 Oxidation on Pyruvate Uptake

🧪 Methodology: Leveraging Molecular Dynamics (MD) Simulations

👉 Key Insights:
The overexpression of VDACs, especially VDAC1, in cancer cells compared to normal cells, has long been recognized. In our study, we honed in on the impact of a low level of VDAC1 oxidation, induced by Cold Atmospheric Plasma (CAP), on pyruvate (Pyr) uptake. Inhibiting Pyr uptake through VDAC1 emerges as a potential strategy to suppress cancer cell proliferation.

💡 Significant Findings:

Employed MD simulations to analyze hVDAC1 structure with modified cysteine and methionine residues.
Results indicated that the free energy barrier for Pyr translocation through the oxidized channel was significantly higher compared to the native channel.
Specifically, the barrier for Pyr translocation through the native channel was approximately 4.3 ± 0.7 kJ mol−1, while for the oxidized channel, it rose to 10.8 ± 1.8 kJ mol−1.
Higher barrier in the oxidized channel correlates with a decreased rate of Pyr permeation, suggesting a potential mechanism for inhibiting cancer cell proliferation.
🌐 Broader Implications:
Our findings unveil that low levels of CAP-induced oxidation reduce Pyr translocation, thereby curbing cancer cell proliferation. This suggests that subtle oxidative modifications may hold therapeutic potential in treating cancer cells by disrupting crucial metabolic pathways.

🚀 Future Directions:
Our research lays the groundwork for further exploration of CAP-induced oxidation as a targeted approach in cancer treatment. As we unravel the intricate connections between VDAC1, Pyr uptake, and cancer cell metabolism, we pave the way for innovative strategies in the fight against cancer.

🙌 Acknowledgments:
Kudos to our dedicated team for their commitment to advancing scientific knowledge and contributing to the ongoing discourse in cancer research. Together, we are shaping the future of cancer treatment!

#CancerResearch #ScienceBreakthrough #MolecularDynamics #ColdPlasma #InnovationInHealthcare #ResearchPublication