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Optimizing Cardiovascular Treatment in Non-Small Cell Lung Cancer: A Comprehensive Computational Approach for Assessment of Drug-Drug Interactions between Tyrosine Kinase Inhibitors and Cardiovascular Drugs

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Figshare2025-02-20 更新2026-04-28 收录
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https://figshare.com/articles/dataset/_b_Optimizing_Cardiovascular_Treatment_in_Non-Small_Cell_Lung_Cancer_A_Comprehensive_Computational_Approach_for_Assessment_of_Drug-Drug_Interactions_between_Tyrosine_Kinase_Inhibitors_and_Cardiovascular_Drugs_b_/28451273
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BackgroundAs lung cancer treatment has progressed, there has been a rise in awareness of the short- and long-term adverse effects of targeted cancer therapies with tyrosine kinase inhibitors, particularly cardiovascular toxicities.Research design and methodsThe current study assessed potential drug interactions utilizing interaction drug-interaction checkers i.e., IBM Micromedex and Drugs.com. Molecular docking was employed to further investigate the involvement of hERG and PXR proteins, to elucidate their potential for interactions and underlying mechanisms.ResultA total of 74 pharmacokinetic and 105 pharmacodynamic interactions were detected between tyrosine kinase inhibitors and cardiovascular drugs, along with the report of severity and level of documentation. A considerable fraction of molecular modeling outcomes exhibited concurrence with information of drug-drug interaction checkers. The binding energies of tyrosine kinase inhibitors with hERG and PXR were found to be high, indicating significant interactions. The cardiovascular drugs class encompasses calcium channel blockers, antiarrhythmic medicines, and statins, which were found to exhibit synergistic interactions. The identification of potential drug-drug interactions, involving CYP3A4, P-gp, and hERG proteins, can be utilized in therapy optimization in clinical settings.ConclusionThe study would aid clinicians in designing a safe dosage regimen for lung cancer patients. In cases where patients have multiple comorbidities, it is further essential to study the clinical aspects to design efficient chemotherapy and to manage adverse effects and toxicities.
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2025-02-20
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