In silico insights into shared molecular mechanisms and drug repurposing for non‑small cell lung cancer and tuberculosis. (PubMed, In Silico Pharmacol) - Oct 20, 2026 - "Levofloxacin (targeting ANLN) and Capmatinib (targeting KIF18A) exhibited the most favorable docking scores and ADME/Tox profiles, with stable binding modes, favorable MM-GBSA binding free energies, and refined dynamic cross-correlation and free-energy landscapes over 100 ns molecular dynamics simulations, nominating them as promising in silico predicted drug agents relevant to both NSCLC and TB. Our in silico transcriptomic and structural‑dynamics analysis reveals shared infection-cancer mechanisms and identifies candidate therapeutics for further evaluation. The online version contains supplementary material available at https://doi.org/10.1007/s40203-026-00767-5."
Journal • Infectious Disease • Lung Adenocarcinoma • Lung Cancer • Non Small Cell Lung Cancer • Oncology • Pulmonary Disease • Respiratory Diseases • Solid Tumor • Squamous Cell Carcinoma • Tuberculosis • ANLN • EPAS1 • KIF18A • TLR4
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Md Enamul Kabir Talukder; Mimuna Nishad; Nafis Fuad Shahir; Nazia Zarin; Shaila Haque; Tanzil Zahan; Tasnim Hosen Tanha
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