Advancing cancer nanomedicine with machine learning DOI Creative Commons

Xifeng Qin,

Tun Lu, Zhiqing Pang

et al.

Acta Pharmaceutica Sinica B, Journal Year: 2024, Volume and Issue: 14(9), P. 4183 - 4185

Published: June 25, 2024

Language: Английский

Toward the Integration of Machine Learning and Molecular Modeling for Designing Drug Delivery Nanocarriers DOI

Xuejiao J. Gao,

Krzesimir Ciura,

Yuanjie Ma

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 10, 2024

Abstract The pioneering work on liposomes in the 1960s and subsequent research controlled drug release systems significantly advances development of nanocarriers (NCs) for delivery. This field is evolved to include a diverse array such as liposomes, polymeric nanoparticles, dendrimers, more, each tailored specific therapeutic applications. Despite significant achievements, clinical translation limited, primarily due low efficiency delivery an incomplete understanding nanocarrier interactions with biological systems. Addressing these challenges requires interdisciplinary collaboration deep nano‐bio interface. To enhance design, scientists employ both physics‐based data‐driven models. Physics‐based models provide detailed insights into chemical reactions at atomic molecular scales, while leverage machine learning analyze large datasets uncover hidden mechanisms. integration presents harmonizing different modeling approaches ensuring model validation generalization across However, this crucial developing effective targeted By integrating enhanced data infrastructure, explainable AI, computational advances, potentials, researchers can develop innovative nanomedicine solutions, ultimately improving outcomes.

Language: Английский

Citations

9

Rational strategies for improving the efficiency of design and discovery of nanomedicines DOI Creative Commons
Xiaoting Shan, Ying Cai,

Binyu Zhu

et al.

Nature Communications, Journal Year: 2024, Volume and Issue: 15(1)

Published: Nov. 18, 2024

Abstract The rise of rational strategies in nanomedicine development, such as high-throughput methods and computer-aided techniques, has led to a shift the design discovery patterns nanomedicines from trial-and-error mode mode. This transition facilitates enhancement efficiency preclinical pipeline nanomaterials, particularly improving hit rate nanomaterials optimization promising candidates. Herein, we describe directed evolution driven by data accelerate with high delivery efficiency. Computer-aided are introduced detail one cutting-edge directions for development nanomedicines. Ultimately, look forward expanding tools using multidisciplinary approaches. Rational may potentially boost next-generation

Language: Английский

Citations

9

Design Considerations for Organ-Selective Nanoparticles DOI
Min‐Jun Baek, Won Hur, Satoshi Kashiwagi

et al.

ACS Nano, Journal Year: 2025, Volume and Issue: unknown

Published: April 7, 2025

Nanoparticles (NPs) have been extensively researched for targeted diagnostic imaging and drug delivery, yet their clinical translation remains limited, with only a few achieving Food Drug Administration approval. This limited success is primarily due to challenges in precise organ- or tissue-specific targeting, which arise from off-target tissue accumulation suboptimal clearance profiles. Herein we examine the critical role of physicochemical properties, including size, surface charge, shape, elasticity, hardness, density, governing biodistribution, targetability, NPs. We highlight recent advancements engineering NPs showcasing both significant progress remaining field nanomedicine. Additionally, discuss emerging tools technologies that are being developed address these challenges. Based on insights materials science, biomedical engineering, computational biology, research, propose key design considerations next-generation nanomedicines enhanced organ selectivity.

Language: Английский

Citations

1

Aspects of 6th generation sensing technology: from sensing to sense DOI Creative Commons
Hirak Mazumdar, Kamil Reza Khondakar, Suparna Das

et al.

Frontiers in Nanotechnology, Journal Year: 2024, Volume and Issue: 6

Published: July 11, 2024

The 6th-generation (6G) sensing technology is transforming the ways we perceive and interact with world in real scenarios. It combines advanced materials, sophisticated algorithms, connectivity to create intelligent, context-aware systems that can interpret respond environmental stimuli unprecedented accuracy speed. key advancements include 1) ultra-sensitive sensors capable of detecting physical, chemical, biological changes at low concentrations, 2) integration artificial intelligence (AI) machine learning (ML) for enhanced data processing, 3) deployment IoT networks 5 th -generation (5G) seamless transmission real-time analysis. These cutting-edge technologies immersive environments where devices capture anticipate user needs conditions. 6G has potential applications across sectors like point-of-care (PoC), healthcare, urban planning, monitoring. transition from sense-making represents a paradigm shift, fostering more intuitive, responsive, interconnected world. article provides comprehensive overview current state prospects technology, highlighting its transformative challenges realizing full capabilities.

Language: Английский

Citations

5

32nd Annual GP2A Medicinal Chemistry Conference DOI Creative Commons
Jean‐Jacques Hélesbeux, Florence O. McCarthy, Maria Manuel Silva

et al.

Drugs and Drug Candidates, Journal Year: 2025, Volume and Issue: 4(1), P. 2 - 2

Published: Jan. 9, 2025

The Group for the Promotion of Pharmaceutical Chemistry in Academia (GP2A) held its 32nd annual conference August 2024 at University Coimbra, Portugal. There were 8 keynote presentations, 12 early career researcher oral and 34 poster presentations. Four awards delivered, two best communications

Language: Английский

Citations

0

Computer‐Aided Design of Self‐Assembled Nanoparticles to Enhance Cancer Chemoimmunotherapy via Dual‐Modulation Strategy DOI Open Access
Xiaoting Shan, Ying Cai,

Binyu Zhu

et al.

Advanced Healthcare Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 19, 2025

Abstract The rational design of self‐assembled compounds is crucial for the highly efficient development carrier‐free nanomedicines. Herein, based on computer‐aided strategies, important physicochemical properties are identified to guide compounds. Then, pharmacophore hybridization strategy used self‐assemble nanoparticles by preparing new chemical structures combining groups different bioactive Hydroxychloroquine grafted with lipophilic vitamin E succinate and then co‐assembled bortezomib fabricate nanoparticle. nanoparticle can reduce M2‐type tumor‐associated macrophages (TAMs) through lysosomal alkalization induce immunogenic cell death (ICD) nuclear factor‐κB (NF‐κB) inhibition in tumor cells. In mouse models, decreased levels TAMs, regulatory T cells, transforming growth factor‐β (TGF‐β), increase proportion cytotoxicity lymphocytes. Additionally, secretion Interleukin‐6 (IL‐6) inhibiting NF‐κB enhance programmed ligand‐1 (PD‐L1) checkpoint blockade therapy. hybridization‐derived provides a dual‐modulation reprogram microenvironment, which will efficiently chemoimmunotherapy against triple‐negative breast cancer.

Language: Английский

Citations

0

Optimizing Thermal Dose Prediction in Nanoparticle-Mediated Photothermal Therapy Using a Convolutional Neural Network-Based Model DOI

N. Shirisha,

Abhilash Sonker, Janjhyam Venkata Naga Ramesh

et al.

Journal of Thermal Biology, Journal Year: 2025, Volume and Issue: 128, P. 104076 - 104076

Published: Feb. 1, 2025

Language: Английский

Citations

0

Advances in locally administered nucleic acid therapeutics DOI
Jie Shen, Xiangfeng Duan, Ting Xie

et al.

Bioactive Materials, Journal Year: 2025, Volume and Issue: 49, P. 218 - 254

Published: March 10, 2025

Language: Английский

Citations

0

Advancements in the Application of the Intersection of Medicine and Engineering in Cancer Research DOI Creative Commons
Haitao Chen,

Guan-Meng Zhang,

Yuping Qian

et al.

Published: April 7, 2025

ABSTRACT Cancer research predominantly centers on diagnosis, treatment, and elucidation of underlying mechanisms. Nevertheless, the intricate nature tumor genesis development has rendered early diagnostic therapeutic outcomes less than optimal, making conquest a formidable challenge. The interdisciplinary fusion medicine engineering, termed “intersection engineering”, emerged as groundbreaking paradigm, offering novel avenues for advancing cancer studies. As this approach evolves, it yielded numerous breakthroughs in mechanistic exploration. In review, we summarize how intersection engineering propels progress by leveraging combined strengths medicine, bioinformatics, materials science, artificial intelligence. This addresses limitations traditional diagnostics therapies, such low sensitivity, poor efficacy, significant side effects, challenges associated with Moreover, highlight global cutting‐edge advancements potential future directions field.

Language: Английский

Citations

0

Data-driven discovery of biaxially strained single atoms array for hydrogen production DOI Creative Commons
Tao Zhang, Qitong Ye, Yipu Liu

et al.

Nature Communications, Journal Year: 2025, Volume and Issue: 16(1)

Published: April 17, 2025

The structure-performance relationship for single atom catalysts has remained unclear due to the averaged coordination information obtained from most single-atom catalysts. Periodic array of atoms may provide a platform tackle this inaccuracy. Here, we develop data-driven approach by incorporating high-throughput density functional theory computations and machine learning screen candidates based on library 1248 sites anchored biaxial-strained transition metal dichalcogenides. Our screening results in Au MoSe2 surface via Au-Se3 bonds. Machine analysis identifies four key structural features classifying ΔGH* data. We show that average band center adsorption can be predictor hydrogen energy. This prediction is validated experiments which archives 1000 hour-stability at 800 mA cm-2 towards acidic evolution. Moreover, active hotspot consisting neighboring Se unraveled enhanced activity.

Language: Английский

Citations

0