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156 articles for “Drug- Drug Interactions”
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Density Functional Theory (DFT): Understanding and Quantifying Molecular Structure of 2-D Materials
Abstract: Density Functional Theory (DFT) has emerged as a cornerstone in computational chemistry and materials science, offering a powerful framework for predicting electronic structures and properties of atoms, molecules, and solids. By focusing on electron density rather than wave functions, DFT simplifies the many-body problem through approximations like the local density approximation (LDA) and generalized-gradient approximations (GGAs). The Hohenberg-Kohn theorems establish the theoretical foundation, proving that ground-state properties are uniquely determined …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 2, 2025 · pp. 33–40 Read article
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Digital Enablers of Nanomedicine: Pharmaceutical Software Across the Lifecycle of Nanotechnology‑Based Drug Products
Abstract: Nanotechnology‑based drug products have rapidly evolved from laboratory concepts to clinically relevant therapies, yet their development is constrained by complex design variables, stringent quality requirements, and emerging regulatory expectations specific to nanomaterials. Pharmaceutical software now plays a central role in the nanomedicine lifecycle, enabling in silico design of nano‑carriers, simulation of nano–bio interactions, control of nanoscale quality attributes during manufacturing, and systematic tracking of safety signals in real‑world use. Integrated …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 28, Issue 1, 2025 · pp. 11–16 Read article
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Exploring Oroxylum indicum Phytochemicals as VEGFR-2 Inhibitors: A Molecular Docking Approach for Cancer Management
Abstract: Cancer is still a major health problem around the world and is one of the top causes of death. A protein called VEGFR-2 (vascular endothelial growth factor receptor 2) is important because it helps blood vessels grow by supporting the survival, movement, and growth of certain cells. This process is essential for tumors to grow and spread to other parts of the body. This study focused on evaluating the binding …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 48–62 Read article
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Physics-Informed Generative and Tensor-Based Framework for DNA Sequence Simulation and Genomic Structure Discovery
Abstract: In this paper, we explore the intersection of artificial intelligence (AI) and mathematical physics to propose advanced methods for DNA sequence generation and analysis. Specifically, we investigate how physics-informed Generative Adversarial Networks (GANs) and tensor network representations can be harnessed to restructure DNA for applications in genetic science. The proposed methodology offers a unique integration of concepts of thermodynamic modeling with innovative GAN architecture in order to allow the creation …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 13, Issue 2, 2026 Read article
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Artificial Intelligence in Microbiological Research: Methods, Applications and Implications
Abstract: Artificial Intelligence (AI) is revolutionising microbiological research by enabling the rapid analysis of complex biological data and improving the accuracy, efficiency, and reliability of scientific investigations. Recent advances in machine learning, deep learning, and bioinformatics have transformed AI into a powerful tool for studying microorganisms, their genetic composition, evolutionary patterns, and interactions with hosts and the environment. AI-driven computational models can process large and complex datasets far more efficiently than …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 16, Issue 2, 2026 Read article
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Overview of Recent Advancement of Nano Stent in Pharmaceutical Application
Abstract: Interventional cardiology has witnessed remarkable progress with the evolution of nanotechnology, leading to the development of nanostents. Nanostents, characterized by their nanoscale features and innovative materials, have emerged as a cutting-edge solution for addressing the limitations associated with traditional stent technologies. This thorough analysis examines the most recent developments in the design, manufacture, and use of nanostents, emphasizing how they may completely transform vascular interventions. The first section of the …
Published in Trends in Drug Delivery · Vol. 11, Issue 1, 2024 · pp. 22–43 Read article
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Synthesis, Characterization, Biological evaluation, and in silico study of aniline derivatives
Abstract: In many hospitals worldwide, bacterial infections brought on by resistant strains are wreaking havoc, particularly in patients who are already impaired by age, disease, and other conditions. Due to the bacterial resistance, it is required to search for newer antibacterial drugs or molecules. In the current study, we aimed to develop aniline derivatives, followed by their anti-bacterial and in silico studies. Out of all the synthesized derivatives, compound 4d was …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 2, 2025 · pp. 25–32 Read article
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Integrating Network Pharmacology and Molecular Docking to Investigate Boerhavia diffusa for Pancreatic Cancer Treatment
Abstract: Objective: In this study, network pharmacology was applied to determine the therapeutic effects of the bioactive compounds of Boerhavia diffusa. Network pharmacology can unearth the underlying mechanisms between drugs and the disease targets and aids in the discovery of novel medications for complex conditions such as cancer. Methods: To predict the molecular mechanisms of action of Boerhavia diffusa in the treatment of was screened using the GeneCards database. The Venn …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 29–49 Read article
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Nutrient–Xenobiotic Crosstalk in Dairy Cattle: Implications for Metabolism, Immunity, Health, and Productivity in Resilient Dairy Development
Abstract: Dairy cattle are routinely exposed to a wide range of xenobiotics, including mycotoxins, heavy metals, pesticides, residues from veterinary drugs, and plant secondary metabolites, through feed, water, and environmental sources. These xenobiotics, being foreign to biological systems, can interfere with the absorption, metabolism, and utilization of essential nutrients, while also compromising immune function, organ health, and overall physiological performance. Chronic or subclinical exposure can reduce feed efficiency, disrupt energy and …
Published in Research and Reviews: A Journal of Neuroscience · Vol. 16, Issue 1, 2026 · pp. 37–46 Read article
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Unveiling Nature’s Potential: In Silico Exploration and Identification of Herbal Remedies for Major Depressive Disorder Through Molecular Interaction Studies
Abstract: Major depressive disorder (MDD), a globally discussed mental health condition, has drawn significant attention because of its unique and intricate nature. This is marked by the enduring presence of negative emotions stemming from a lack of interest, diminished self-esteem, and excessive rumination. Despite the widespread availability of various antidepressant medications, their effectiveness is hindered by low response rates, prolonged treatment durations, and the prevalence of side effects, such as headaches, …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 54–62 Read article
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In-Silico Studies of Phytochemicals from Allium sativum with H5N1 Protein in Avian Influenza
Abstract: Allium sativum or garlic is a medicinal plant that is reported for its applications in many biological activities, such as its antiviral, antidiabetic, and anti-inflammatory properties, etc. In this paper, the focus has been the identification of potential phytochemicals that can be extracted from Allium sativum that can act as a candidate for drug formation that possesses the capability to inhibit the H5N1 Avian Influenza, a type of highly pathogenic …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 2, 2024 · pp. 50–60 Read article
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Introduction to Biological Networks and their Contributions to Systems Biology
Abstract: Biological networks provide a conceptual framework to represent and analyze the intricate interconnections among the numerous components that make up living systems. This review paper elucidates the foundational principles of networks and their diverse applications in systems biology, highlighting their crucial role in understanding the inherent complexity of biological processes. Utilizing graph theory, these networks represent entities like genes, proteins, and metabolites as nodes, with their interactions depicted as edges. …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 53–70 Read article
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Biodegradable Polymer Nanocarriers Composites for Biomedical Applications
Abstract: Smart polymeric nanocarriers, or SPNs, have evolved into a fascinating means of delivering medications especially to cancer cells. By improving the efficacy of chemotherapeutic treatments while lowering their negative effects, they have achieved a significant progress in exact medicine. Made to respond to certain elements in the tumours microenvironment, such as enzymes, temperature, pH, and redox conditions, these nanocarriers this reaction to triggers guarantees the release of the medicine at …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 293–305 Read article
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In Silico Pharmacological Evaluation of Certain Commercially Available Terpenoids As Αlpha-Amylase Inhibitors for The Management of Diabetes Mellitus.
Abstract: The objective of this study was to investigate the α-amylase inhibitory activity of certain commercially available terpenoids using in silico docking studies. In this perspective, terpenoids like Abietane, Artemisinin, Carvone, Cucurbitane, Ferruginol, Lupeol, Nerolidol, Retinol, Sabinene, and Zingiberene were selected. Glibenclamide, a well-known antidiabetic drug was used as the standard. In silico docking studies were carried out using AutoDock 4.2, based on the Lamarckian genetic algorithm as the working principle. …
Published in Research and Reviews : Journal of Computational Biology Read article
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Formulation and Evaluation of Aqueous Azadirachta indica Phytosome
Abstract: A phytosome is a complex created through the union of a natural compound, typically a plant extract, with a phospholipid. Phospholipids play a crucial role in cell membranes, possessing a structure comprising a hydrophilic (water-attracting) head and hydrophobic (water-repelling) tails. This distinctive structure enables phospholipids to construct lipid bilayers, fundamental elements of cell membranes. Phytosome increases the bioavailability, and absorption of active chemical constituents in the extract with the help …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 11, Issue 1, 2024 · pp. 17–30 Read article
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Biopolymer Hydrogels: Patent Insights and Emerging Technological Trends
Abstract: Hydrogel biopolymers have become a valuable resource for next-generation functional materials due to their inherent properties, including compatibility with biological systems, environmental degradability, and minimal toxicity. Intelligent gels that respond to changes in temperature, pH, or ionic strength have various applications across industries like pharmaceuticals, biomedical engineering, and the food sector. This review systematically compiles findings from patent disclosures and non-patent literature to highlight recent trends in biopolymer-based hydrogel research, …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 916–924 Read article
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Antidiabetic Potential of Bryophyllum pinnatum: A Study on its Pharmacological Effects and Synergistic Action with Glibenclamide
Abstract: Diabetes is a long-term metabolic disorder that profoundly impacts an individual’s overall health, social interactions, and quality of life. While significant progress has been made in diabetes management with the use of medications such as insulin and oral hypoglycemic agents, the limitations of these existing treatments highlight the need for new therapeutic alternatives. Moreover, the high cost of current diabetes medications makes them inaccessible to many, particularly in rural areas …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 2, 2025 · pp. 18–30 Read article
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In Silico Identification of Therapeutic Agents for Dengue Virus by Molecular Docking
Abstract: The dengue virus causes serious health issues and a loss of quality of life. Dengue poses a yearly threat to half of the world’s population. The drugs that are based on allopathy are expensive and also exhibit toxic effects on tissues and biological activities. It is also generally accepted that most pharmacologically active drugs, including those derived from medicinal plants, are isolated from natural sources. The present study is directed …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 2, 2026 · pp. 01–14 Read article
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A Comprehensive Review on Pharmacological Properties of Coumarins
Abstract: Coumarins are a diverse group of secondary metabolites found in a variety of plant species (over 1200 different coumarins have been identified from natural sources, especially plants), as well as in fungi and microorganisms. Coumarin is a simple, widely occurring chemical structure in nature, present in many plants, fungi, and bacteria. In recent years, these natural compounds have attracted growing interest from the scientific community due to their broad spectrum …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 2, 2024 · pp. 12–17 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