Paper Title
Computational Nanoscience and Technology in Pharmaceuticals: A Comprehensive Review
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Registration ID: IJNRD_310699
Published ID: IJNRD2511261
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Keywords
Computational Nanoscience, Pharmaceutical Nanotechnology, Molecular Modelling, Drug Delivery Systems, AI-Based Nano medicine
Abstract
Computational Nano science has emerged as a transformative tool in pharmaceutical research, offering a predictive and systematic approach to the design and optimization of nanoscale drug delivery systems. By integrating molecular modelling, quantum mechanical calculations, machine learning algorithms, and advanced simulation techniques, researchers can thoroughly investigate nanocarrier behaviour, physicochemical stability, drug–nanoparticle interactions, and therapeutic performance prior to experimental validation. These in silico methodologies significantly reduce development costs, minimize laboratory failures, and enable the rational selection of materials and design parameters for improved drug delivery efficiency. This review provides a comprehensive overview of the computational tools and software commonly used in nanomedicine research, along with major applications such as nanocarrier design, toxicity prediction, and targeted drug delivery optimization. Additionally, it highlights existing challenges—including model accuracy limitations, high computational demands, and translational gaps between simulations and biological systems—that affect the successful development of clinically viable nanotherapeutics. Future prospects, such as artificial intelligence–driven nanomedicine, digital twin technology, personalized nanoformulations, and advancements in quantum computing, are also explored, underscoring the expanding role of computational Nano science in shaping next-generation pharmaceutical innovation.
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How To Cite (APA)
Nitin Rajendra Jadhav, Mr. Shaikh Akbar Mohammad Altaf, Dr. D.K. Vir, Akshay Santosh Hade, & Vikas Pundlik Jangle (November-2025). Computational Nanoscience and Technology in Pharmaceuticals: A Comprehensive Review. INTERNATIONAL JOURNAL OF NOVEL RESEARCH AND DEVELOPMENT, 10(11), c661-c676. https://ijnrd.org/papers/IJNRD2511261.pdf
Issue
Volume 10 Issue 11, November-2025
Pages : c661-c676
Other Publication Details
Paper Reg. ID: IJNRD_310699
Published Paper Id: IJNRD2511261
Research Area: Pharmacy All
Author Type: Indian Author
Country: Chhatrapati Sambhajinagar, Maharashtra, India
Published Paper PDF: https://ijnrd.org/papers/IJNRD2511261.pdf
Published Paper URL: https://ijnrd.org/viewpaperforall?paper=IJNRD2511261
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