ArticleInternational journal of molecular sciences2024
Artificial Intelligence-Powered Molecular Docking and Steered Molecular Dynamics for Accurate scFv Selection of Anti-CD30 Chimeric Antigen Receptors.
Article in International journal of molecular sciences, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- Applications of Artificial Intelligence in Cancer Diagnosis and Treatment.Cancer medicine · 2026Review
- Engineered small extracellular vesicles in hematologic malignancies: mechanisms, therapeutic strategies, and translational challenges.Clinical and experimental medicine · 2026Review
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- Enhancing persistence while managing cytokine release syndrome to embrace next-generation CAR-T cell therapy.Journal of translational medicine · 2026Review
- Article
- Dual-module aCAR-iCAR NK cells for solid tumors: cascade resistance mechanisms, AI-driven engineering, and precision stratification.Frontiers in immunology · 2026Review
- CD30 as a Target Molecule in the Diagnosis and Therapy of Lymphomas.American journal of hematology · 2026Review
- CAR-NK Engineering to Overcome TME Barriers.Cells · 2025Review
- Nanoparticle-based strategy in CAR-T cell immunotherapy: challenges, implications, and perspectives.Molecular cancer · 2025Review
- Special Issue "The Promising Future of CAR-Based Therapies: A Matter of Molecular Details".International journal of molecular sciences · 2025Article
- Targets for CAR Therapy in Multiple Myeloma.International journal of molecular sciences · 2025Review
- Insights into next-generation immunotherapy designs and tools: molecular mechanisms and therapeutic prospects.Journal of hematology & oncology · 2025Review
- Integrating AI into Cancer Immunotherapy-A Narrative Review of Current Applications and Future Directions.Diseases (Basel, Switzerland) · 2025Review
- RoseTTAFold diffusion-guided short peptide design: a case study of binders against Keap1/Nrf2.Computational and structural biotechnology journal · 2025Article
- A Novel Workflow for In Silico Prediction of Bioactive Peptides: An Exploration ofBiomolecules · 2024Article
- Artificial intelligence for chimeric antigen receptor-based therapies: a comprehensive review of current applications and future perspectives.Therapeutic advances in vaccines and immunotherapy · 2024Review
Corrections and comments
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Authors and funding
20 authors.
Funding
Abstract
Chimeric antigen receptor (CAR) T cells represent a revolutionary immunotherapy that allows specific tumor recognition by a unique single-chain fragment variable (scFv) derived from monoclonal antibodies (mAbs). scFv selection is consequently a fundamental step for CAR construction, to ensure accurate and effective CAR signaling toward tumor antigen binding. However, conventional in vitro and in vivo biological approaches to compare different scFv-derived CARs are expensive and labor-intensive. With the aim to predict the finest scFv binding before CAR-T cell engineering, we performed artificial intelligence (AI)-guided molecular docking and steered molecular dynamics analysis of different anti-CD30 mAb clones. Virtual computational scFv screening showed comparable results to surface plasmon resonance (SPR) and functional CAR-T cell in vitro and in vivo assays, respectively, in terms of binding capacity and anti-tumor efficacy. The proposed fast and low-cost in silico analysis has the potential to advance the development of novel CAR constructs, with a substantial impact on reducing time, costs, and the need for laboratory animal use.
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Registered trials
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