Cancer remains a significant health challenge globally, promptingthe exploration of innovative therapeutic strategies. Chinese drugs and natural compounds have emerged as valuable sources for discovering new anticancer agents. This research initiative aims to utilize advanced computational methods and experimental techniques to uncover and enhance the antitumor potential of these natural substances. Including: identifing and map the interactions between natural compounds and key cancer-related molecular targets,

predicting and analyze the binding efficiency and specificity of natural compounds with identified targets, assessing the stability and dynamics of compound-target interactions over time, providing insights into their functional impacts and validating computational findings through rigorous in vitro and in vivo assays, elucidating the compounds' effects on cancer cell biology.

This proposed research aims to significantly advance our understanding of how natural compounds can be utilized in the field of oncology. By combing state-of-the-art computational techniques with empirical biological investigations, we anticipate uncovering new mechanisms of action and therapeutic strategies that capitalize on the unique properties of natural products.

The project is specifically designed to align with the thematic goals of the Research Topic. It will utilize network pharmacology, molecular docking, and molecular dynamics simulations as foundational tools to explore the antitumor activity of substances derived from Chinese drugs and other natural sources. This research will showcase the transformative potential of merging ancient wisdom with modern scientific approaches in fight against cancer.

This comprehensive approach ensures that the study not only contributes to the academic and scientific communities but also paves the way for future therapeutic innovations in cancer treatment using natural compounds as a base. The findings of this project aim to make a significant contribution to the Research Topic by offering novel insights and robust data on the viability of natural compounds in oncology

The Research Topic includes, but are not limited to:

• Characterization of Antitumor Phenotypes: Detailed studies will be conducted to delineate the effects of selected natural compounds on cancer cell proliferation, survival, apoptosis, and other critical phenotypic behaviors.

• Enhancement of Chemosensitivity: Research will focus on investigating how natural compounds could enhance the effects of conventional chemotherapeutic agents, with the goal of overcoming resistance and improving therapeutic efficacy.

• Targeted Therapy Sensitization: The ability of natural compounds to increase the sensitivity of cancer cells to targeted small molecule drugs will be examined.

• Exploration of Synergistic Interactions: Systematic evaluation will be carried out to assess the cumulative effects of combining natural compounds with existing cancer treatments in order to discover potential synergistic benefits.

• Studies on Natural Product Anti-Tumor Medicines: Integrating Experimental pharmacology and AI-assisted virtual screening

Note: Please self-assess your MS using the ConPhyMP tool (https://ga-online.org/best-practice/), and follow the standards established in the ConPhyMP statement Front. Pharmacol. 13:953205. All the manuscripts need to fully comply with the Four Pillars of Best Practice in Ethnopharmacology (you can freely download the full version here). Importantly, please ascertain that the ethnopharmacological context is clearly described (pillar 3d) and that the material investigated is characterized in detail (pillars 2 a and b).

*Note: Topic editor Shuhong Luo is employed by RayBiotech，Inc. All other Topic Editors declare no competing interests with regards to the Research Topic subject.

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Interdisciplinary Approaches for Uncovering the Anti-tumor Mechanisms of Chinese Drugs and Natural Products