Integrating network pharmacology and computational biology to propose Yiqi Sanjie formula’s mechanisms in treating NSCLC: molecular docking, ADMET, and molecular dynamics simulation Article Swipe

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Yunzhen Wang , Guijuan He , Mire Zloh , Tao Shen , Zhengfu He ·

YOU? · · 2024 · Open Access · · DOI: https://doi.org/10.21037/tcr-24-972

Our research demonstrates the potential of integrating network pharmacology and computational biology to elucidate the mechanisms of the Yiqi Sanjie formula in NSCLC treatment. The identified compounds could lead to novel targeted therapies, especially for patients with overexpressed targets. The discovery of ADH1B as a therapeutic target adds a new dimension to NSCLC treatment strategies. Further studies, both in vitro and in vivo, are needed to confirm these computational findings and advance these compounds towards clinical trials.

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Lung Cancer

Computational Biology

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Lung cancer Computational biology Biology Pharmacology Oncology Medicine

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Type: article
Language: en
Landing Page: https://doi.org/10.21037/tcr-24-972
OA Status: diamond
Cited By: 1
References: 66
Related Works: 10
OpenAlex ID: https://openalex.org/W4401189894

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DOI: https://doi.org/10.21037/tcr-24-972

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Title: Integrating network pharmacology and computational biology to propose Yiqi Sanjie formula’s mechanisms in treating NSCLC: molecular docking, ADMET, and molecular dynamics simulation

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Type: article

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Language: en

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Publication year: 2024

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Publication date: 2024-07-01

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Authors: Yunzhen Wang, Guijuan He, Mire Zloh, Tao Shen, Zhengfu He

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Landing page: https://doi.org/10.21037/tcr-24-972

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OA URL: https://doi.org/10.21037/tcr-24-972

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Concepts: Lung cancer, Computational biology, Biology, Pharmacology, Oncology, Medicine

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Cited by: 1

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Citations by year (recent): 2025: 1

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