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181 articles for “drug design”
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Molecular Dynamics and Therapeutic Architectures of Cannabinoid Receptors: A Comprehensive Review
Abstract: Expanding on these foundations, recent structural biology studies using cryo-electron microscopy have provided high-resolution insights into the conformational dynamics of CB₁ and CB₂ receptors. These findings have enabled a more precise understanding of ligand–receptor interactions, particularly how agonists, antagonists, and reverse agonists stabilize distinct receptor states. Such knowledge is critical for rational drug design, allowing researchers to selectively modulate downstream signaling pathways. For instance, CB₁ receptors primarily couple to Gi/o …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 36–40 Read article
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Computational Identification of Antigenic Proteins and Epitopes in Hantavirus sp. for Drug Repurposing
Abstract: Hantavirus is an emerging virus that spreads from animals to humans and can cause serious illnesses like hantavirus pulmonary syndrome (HPS) and hemorrhagic fever with renal syndrome (HFRS). there are no FDA-approved treatments available for these diseases. This study explores in-silico drug repurposing as a strategy to identify potential therapeutic candidates. The physicochemical, secondary structure, antigenicity, and post-translational modification analysis of hantavirus proteins – specifically the glycoprotein precursor, N protein, …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 20–26 Read article
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QSAR Modeling of a Novel Series of Methoxylated Chalcones as Antioxidant Agents Against Gram-Positive Bacteria Staphylococcus aureus
Abstract: Background: Chalcones are aromatic ketones belonging to the flavonoid family. They are plant-based compounds and are widely found in nature. For centuries, these bioactive molecules have been utilized in various traditional medicines for the treatment of several ailments. Chalcones have antibacterial, antiviral, antimalarial, antifungal, antioxidant, and antileishmanial properties. They are also used to treat inflammation and cancer. Chalcones act as angiogenesis inhibitors, an important factor in cancer progression and metastasis. …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 1, 2025 · pp. 28–34 Read article
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Big Data in Chemistry: Problems and Answers
Abstract: The rapid growth of experimental and computational chemistry data, researchers now have access to vast datasets, presenting both significant opportunities and challenges. This paper explores the primary challenges associated with managing, processing, and utilizing big data in chemistry, including data heterogeneity, integration across various scales and systems, lack of standardized formats, and the need for advanced tools for data analysis. Additionally, the paper discusses the ethical concerns of data ownership, …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 9–14 Read article
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Computational Study of Sombor Index on Generalized Abid–Waheed Graphs for Polymer Modeling
Abstract: This study investigates the topological properties of generalized Abid Waheed graphs. Development of theoretical models in chemistry, reducing computational complexity while analysing large molecules or networks Abid Waheed graphs play a significant role. Motivated by these findings, the research was extended to encompass generalized Abid Waheed graphs, characterized by r cycles of order s. A notable similarity between Abid Waheed graphs and Jahangir graphs was observed. The potential applications of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 267–274 Read article
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Digital Frontiers in Life Sciences: The Transformative Role of Computing in Modern Biology
Abstract: The integration of computers in the biological sciences has revolutionized research and experimentation, facilitating advancements in areas such as genomics, bioinformatics, systems biology, and ecological modeling. The ability to process vast amounts of biological data efficiently has transformed how scientists study complex biological systems and phenomena. Computational tools enable the analysis of DNA sequences, protein structures, metabolic pathways, and ecological dynamics, which were previously beyond the reach of traditional laboratory …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 4, Issue 1, 2026 Read article
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Graph Theoretic Analysis of Cyclodextrin Polymers
Abstract: Topological indicators in chemical graph theory are essential tools in cheminformatics, providing valuable insights into molecular structure and properties to make more accurate predictions about the behavior and efficacy of novel compounds in drug design. The macro molecules are correlated with certain derivatives. The derivatives are growing structures which depends on the cyclic structures. The Cyclodextrin is one of the cyclic structures which depends on the carbon atoms. The polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 997–1006 Read article
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Microneedles: An Innovative Drug Delivery System
Abstract: Microneedles represent a groundbreaking innovation in drug delivery systems, offering a transformative alternative to conventional hypodermic needles and transdermal patches. This advanced technology combines the precision and efficacy of needle-based delivery with the convenience and pain-free nature of patches, creating a minimally invasive platform that addresses many limitations of traditional drug administration. Microneedles are designed to penetrate the stratum corneum – the skin’s outermost layer – without reaching pain-sensitive nerves …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 60–67 Read article
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4D Printing in Drug Delivery: Application of Shape- Morphing Materials in Controlled Drug Release
Abstract: Four-dimensional printing technology has transformed the pharmaceutical landscape, offering unprecedented opportunities for innovation in drug development and delivery. This emerging technology enables the creation of complex geometries and customized structures, facilitating the design of personalized medications tailored to individual patient needs. Personalized dosing and drug release profiles, customized pill shapes and sizes for improved swallowability. Enhanced drug solubility and bioavailability, rapid prototyping and testing of pharmaceutical products. Development of complex …
Published in Trends in Drug Delivery · Vol. 12, Issue 3, 2025 · pp. 08–16 Read article
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A Study on The Impact of Artificial Intelligence in Pharmaceuticals
Abstract: The main goal of artificial intelligence (AI) is to create intelligent modeling, which facilitates knowledge imagination, problem-solving, and decision-making. AI is becoming more and more significant in several pharmacy domains, including polypharmacology, hospital pharmacy, drug discovery, and drug delivery formulation development. Various types of artificial neural networks (ANNs), including deep neural networks (DNNs) and recurrent neural networks (RNNs), are utilized in the development of drug delivery formulations and in drug …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 1, 2025 · pp. 24–32 Read article
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Effect of Polymer Crosslinking on Drug Release Kinetics
Abstract: In order to improve treatment effectiveness and minimise adverse effects, polymer-based drug delivery systems are often used to produce regulated and sustained drug release. Polymer crosslinking, which alters the structural, mechanical, and degrading characteristics of the polymer matrix, is one of the key elements affecting drug release kinetics. The porosity, swelling behaviour, and rate of degradation of the polymer are all impacted by the crosslinking process, which may be accomplished …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 636–647 Read article
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Design, Synthesis, and Spectroscopic Elucidation of 3-Methyl-1-Phenylpyrazol-5-One: A Cheminformatics-Aided Approach to Heterocyclic Drug Scaffolds
Abstract: Pyrazolone, a notable heterocyclic compound, has drawn increasing interest due to its broad pharmacological profile and structural versatility. The synthesis, characterisation, and biological assessment of new pyrazolone derivatives are examined in this work. A comprehensive review of existing synthetic strategies is presented, emphasizing green and efficient methodologies. Novel derivatives were synthesized using varied starting materials and catalytic systems, followed by structural confirmation through spectroscopic analyses, including NMR, IR, and mass …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 29–40 Read article
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Recent Developments in Structural Genomics: Uncovering Cellular Functions
Abstract: Structural genomics has become a groundbreaking field for understanding cellular functions by revealing the three-dimensional structures of proteins and other biomolecules. This field combines advanced methods like X-ray crystallography, nuclear magnetic resonance spectroscopy, cryo-electron microscopy, and computational modeling to explore the molecular structure and behavior of cellular components. Recent advances have significantly accelerated the pace of structure determination, bolstered by high-throughput methods and artificial intelligence tools like AlphaFold. These developments …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 30–35 Read article
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Comprehensive Review of Nanomaterials Synthesis Methods, Characterization and Multifaceted Applications in Medical Field
Abstract: Nanomaterials associated by special qualities derived from their nanoscale size nanomaterials have tremendous potential in a variety of industries like, medicine & healthcare. Due to today busy life & unhealthy life schedule many abnormal cell growth take place in our body & affect the other organ. Sometimes it may leads to cancer & others dangerous diseases, nanomaterials such as nanotubes, liposomes & polymeric micelles are help for designing the drugs …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 657–669 Read article
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Implementing Blockchain to Enhance Security in the Pharmaceutical Industry and Combat Drug Counterfeiting
Abstract: Drug counterfeiting has emerged as a critical threat to public health, as it has enabled inferior and counterfeit drugs to flood many markets around the world thereby eroding trust in healthcare systems and patient safety. This paper seeks to address the glaring need for adequate security safeguards to curb the circulation of counterfeit drugs by proposing a blockchain model designed specifically for the pharmaceutical industries. In general, the idea of …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 1, 2025 · pp. 33–46 Read article
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A Comprehensive Review: Emerging Nanotechnology in Cancer Drug Delivery
Abstract: Nanotechnology has become a groundbreaking strategy in cancer therapy, especially in drug delivery systems, offering improved treatment effectiveness while minimizing the adverse effects associated with traditional methods. This review presents an in-depth analysis of recent progress in nanotechnology for cancer drug delivery, emphasizing the design, mechanisms, and practical applications of nanoparticle-based systems. Nanoparticles, such as liposomes, dendrimers, and gold nanoparticles, offer unique advantages, including improved drug solubility, targeted delivery to …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 27, Issue 1, 2025 · pp. 24–33 Read article
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Personalized Medicines in Pharmaceutics: Drug Delivery System
Abstract: Pharmaceutics personalized medicine is a developing area that seeks to customize medical interventions for specific patients. Instead of a one-size-fits-all approach, personalized medicine focuses on developing treatments that consider a person’s unique characteristics, such as their genetic makeup, environment, and lifestyle. This allows for more effective treatment outcomes, as drugs are specifically designed to work best for each patient, reducing side effects and improving therapeutic results. In pharmaceutics, this involves …
Published in Emerging Trends in Personalized Medicines · Vol. 2, Issue 1, 2025 · pp. 11–22 Read article
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Ocular Films as a Drug Delivery System Against Fungal Infections: Current Insights and Future Directions
Abstract: Fungal infections of the eye, including keratitis, endophthalmitis, and blepharitis, represent a challenging class of ocular diseases due to their potential for vision loss and the limited efficacy of existing treatments. These infections are caused by a range of pathogenic fungi, such as Aspergillus, Candida, and Fusarium species, and often require long-term therapeutic intervention. Conventional topical antifungal therapies, such as eye drops and ointments, suffer from poor ocular bioavailability due …
Published in Trends in Drug Delivery · Vol. 12, Issue 2, 2025 · pp. 101–109 Read article
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Biodegradable Polymer Composite Materials for Long-Term Drug Release in Pharmacotherapy
Abstract: Biodegradable Polymer composite materials are a promising choice for controlled drug delivery because they let medicine be released slowly over time during treatment. These structures, which are made from safe, recyclable plastics, work well to make sure that drugs stay in the body for a long time. This means that patients will take their medicine less often and more consistently. As the body breaks down these structures, the drug inside …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 533–546 Read article
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Comprehensive Review on Antimicrobial based Hydrogel for Wound Healing
Abstract: Chronic wounds present a significant clinical challenge due to their prolonged healing time, high risk of infection, and frequent recurrence. The development of novel wound dressings with both healing and antimicrobial properties is essential for effective wound management. This study focuses on the formulation and evaluation of an antimicrobial drug-loaded hydrogel designed to promote chronic wound healing. Chronic wounds are a growing concern in healthcare, often taking weeks or even …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 12, Issue 2, 2025 · pp. 72–88 Read article