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163 articles for “molecular interactions”
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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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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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Crystal Defects and Their Characterization in Modern Materials Science
Abstract: The physical and chemical properties of crystalline solids are fundamentally dictated by deviations from structural perfection, known as crystal defects. From the point-scale vacancies that drive diffusion to the planar boundaries that determine mechanical strength, defects serve as the primary "tuning knobs" in material design. This review provides a comprehensive examination of point, line, and planar defects, exploring their formation energetics and their role in plastic deformation via crystallographic slip. …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 15–19 Read article
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Exploring the Therapeutic Potential of Phytochemicals in Aloe Barbadensis Miller Through Molecular Docking for Ulcerative Colitis Management
Abstract: Ulcerative colitis (UC) is a chronic inflammatory bowel disease characterized by mucosal inflammation of the colon, often associated with immune dysregulation and oxidative stress. Natural compounds have gained significant attention as alternative therapeutic agents due to their efficacy and minimal side effects. Quercetin, a flavonoid abundantly found in Allium cepa (onion), has demonstrated potent anti-inflammatory and antioxidant properties. This study employs an in silico approach to evaluate the therapeutic potential …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 13, Issue 1, 2026 · pp. 06–12 Read article
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Advanced Techniques in Filler Layering for the Malar Region: Implications for Cellular Integrity and Long-Term Outcomes
Abstract: Objective: This review investigates advanced filler layering techniques for the malar region, focusing on cellular integration, collagen remodeling, hydration dynamics via aquaporin channels, genetic responses, and filler performance over time. Emphasis is placed on high-density HA fillers (Lyft, Voluma, Volift, and Volux), examining cellular-level mechanisms, genetic interactions, and the role of key pathways (TGF-β, ERK/MAPK, AQP3) in long-term outcomes. Methods: A systematic review was conducted, focusing on genetic, cellular, and …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 1, 2025 · pp. 10–19 Read article
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Host-Pathogen Coevolution: Implications for Immune Evasion and Pathogen Fitness
Abstract: The interaction between hosts and pathogens represents a continuous evolutionary struggle, shaping both microbial virulence and host immunity. Pathogens employ diverse strategies to evade immune surveillance, ranging from antigenic variation and molecular mimicry to hijacking of host immune checkpoints. Simultaneously, hosts refine innate and adaptive immune mechanisms to counteract infection and limit damage. This reciprocal adaptation, known as host–pathogen coevolution, influences pathogen persistence, transmission, and fitness, while also sculpting immune …
Published in International Journal of Pathogens · Vol. 2, Issue 2, 2025 · pp. 6–10 Read article
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Host Invasion to Immune Evasion: Emerging Concepts in Pathogen Virulence Strategies
Abstract: The interaction between hosts and pathogens represents a continuous evolutionary struggle, shaping both microbial virulence and host immunity. Pathogens employ diverse strategies to evade immune surveillance, ranging from antigenic variation and molecular mimicry to hijacking of host immune checkpoints. Simultaneously, hosts refine innate and adaptive immune mechanisms to counteract infection and limit damage. This reciprocal adaptation, known as host–pathogen coevolution, influences pathogen persistence, transmission, and fitness, while also sculpting immune …
Published in International Journal of Pathogens · Vol. 3, Issue 1, 2026 Read article
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Phytotherapeutic Potential of Melaleuca: An Integrative Review of Phytochemistry and Antimicrobial, Antifungal, Antioxidant, and Antiviral Mechanisms
Abstract: Melaleuca alternifolia and other species of the Melaleuca genus stand out for the broad spectrum of pharmacological properties attributed to their bioactive compounds, such as monoterpenes, sesquiterpenes, flavonoids, and polyphenols. This study aimed to critically review and analyze scientific evidence produced between 2005 and 2025 regarding the antimicrobial, antifungal, antioxidant, and antiviral activities of Melaleuca, correlating its phytochemistry with molecular mechanisms of action. For this purpose, an integrative literature review …
Published in Research & Reviews : Journal of Herbal Science · Vol. 15, Issue 2, 2026 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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Polymer-Based Chemistry of Carbohydrate-Derived Fulvic Acid and Its Comparative Effect with Chelating Agents on Root Dentin Microhardness
Abstract: The interaction between the polymer science and the endodontic biomaterials field has increased recently while considering the search for chelating agents. CHD-FA (Carbohydrate-Derived Fulvic Acid), a naturally occurring low-molecular-weight polymeric organic acid, has potential chelating and antimicrobial and antioxidant activities. This investigation examines the polymeric chemistry of CHD-FA and compares the effect of CHD-FA with other chelating agents, ethylenediaminetetraacetic acid (EDTA), and citric acid, on root dentin microhardness. A total …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1051–1061 Read article
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Drugs for Alzheimer’s Disease from Salix Alba Discovered Computationally Utilizing Virtual Screening and Docking against 1b41 Protein
Abstract: Objective : The of this research is to evaluate the feasibility of using molecular docking techniques to identify novel acetylcholinesterase, a key enzyme implicated in the pathogenesis of Alzheimer’s disease, a neurodegenerative disorder with a gradual but steady progression to death, due to the gradual accumulation of beta-plaques and neurofibrillary tangles, as well as a decline in acetylcholine levels. Due to its function in converting acetylcholine into acyl and choline …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 07–19 Read article
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An in-silico toxicity study of the phytocompounds found in Pongamia pinnata leaves using the ProTox-II web server
Abstract: The aim of the current study was to determine the Insilco toxicity of the phytocompound present in the leaves of Pongamia pinnata. The leaves of Pongamia pinnata have long been used in traditional medicine for their therapeutic properties. Nowadays, herbal toxicity is a common problem caused by incorrect dosage. The FDA reviews the safety and effectiveness of herbal products only in response to patient or health care provider complaints—problems with …
Published in Research and Reviews : Journal of Crop science and Technology · Vol. 13, Issue 1, 2024 Read article
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In Silico Analysis and Docking Study of the Active Phyto Compounds of Ginkgo Biloba Against Alzheimer's Amyloid-Beta Protein
Abstract: Objective: Alzheimer's disease, an age-related progressive neurological condition, arises due to the accumulation of amyloid-beta protein within the brain. In this study, an attempt was made to explore the potential of natural compounds derived from Ginkgo, known for their diverse medicinal properties, in the prevention of the disorder by employing molecular docking techniques, conducting drug-likeness prediction assessments, and performing ADME analysis. Methods: Amyloid beta protein was retrieved from the PDB …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 Read article
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Fungal-derived Nutraceuticals & Bioactive Compounds with Physiotherapeutic and Health- promoting Properties: A Comprehensive Review
Abstract: Fungal-derived nutraceuticals represent a rapidly expanding field in biomedical research, offering a rich source of bioactive compounds with diverse therapeutic applications. This comprehensive review examines the physiotherapeutic and health-promoting properties of fungal metabolites, including polysaccharides, terpenes, proteins, peptides, alkaloids, fatty acids, vitamins, and minerals. Fungi produce over 9,000 bioactive compounds from approximately 22,500 microbial metabolites, with less than 5% of the fungal kingdom explored [1] . The major bioactive constituents …
Published in International Journal of Fungi · Vol. 2, Issue 2, 2025 Read article
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Photoreceptor Dynamics: Light Sensing and Cellular Responses for Photochemistry
Abstract: Photoreceptor dynamics represent a fundamental aspect of photochemistry, encompassing the mechanisms by which biological systems detect and respond to light stimuli. Photoreceptors are specialized proteins that undergo structural and functional changes upon photon absorption, initiating a cascade of molecular events that translate light signals into cellular responses. These proteins are ubiquitous across life forms, including microbial rhodopsins, plant phytochromes, and animal opsins, each finely tuned to specific wavelengths and light …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 28–32 Read article
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Pathophysiology Reimagined: Integrating Systems Biology and AI for Disease Understanding
Abstract: Pathophysiology, the study of disease mechanisms at molecular, cellular, and systemic levels, has traditionally relied on reductionist approaches that often fail to capture the complex, dynamic, and interconnected nature of biological systems. Diseases such as cancer, neurodegenerative disorders, and infectious diseases arise from intricate interactions among genetic, epigenetic, metabolic, and environmental factors, necessitating integrative, data-driven methodologies for a deeper understanding. Systems biology has emerged as a powerful approach by leveraging …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 2, 2025 · pp. 63–71 Read article
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Novel 1,3,4-Thiadiazole Derivatives: Design, Synthesis, Characterization and Anticancer Evaluation – A Review
Abstract: Cancer remains one of the leading causes of mortality worldwide despite significant advances in diagnosis and treatment. The clinical usefulness of many anticancer drugs is often restricted by toxicity, poor selectivity, and the emergence of drug resistance. These limitations have encouraged the search for novel heterocyclic compounds with improved therapeutic efficacy and safety. Among these, the 1,3,4-thiadiazole scaffold has gained considerable attention because of its favorable physicochemical characteristics, metabolic stability, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 2, 2026 Read article
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Computational Molecular Docking Studies to Design Novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)-1H- indol-5-ol Derivatives for Estrogen Receptor Alfa in AF-2 Domain
Abstract: The present manuscript describes the designing of novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)- 1H-indol-5-ol derivatives as specific estrogen receptor alfa modulators and their screening by docking studies to determine the binding interaction for the best-fit conformations in the binding site of the ERα receptor. Based on the results of docking studies, the selected ligands reveal the all- important functional groups of the ligands that interact with active amino acid residues in the …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 12, Issue 3, 2025 · pp. 15–49 Read article
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Host Invasion to Immune Evasion: Emerging Concepts in Pathogen Virulence Strategies
Abstract: Pathogens have evolved a wide repertoire of virulence strategies that allow them to invade host tissues, establish infection, and circumvent immune responses. From the initial steps of adhesion and colonization to complex molecular mimicry, antigenic variation, and immunomodulation, pathogens display remarkable adaptability. While traditional research has emphasized host cell entry and toxin production, emerging evidence highlights subtler and more dynamic strategies such as manipulation of host signaling pathways, subversion of …
Published in International Journal of Pathogens · Vol. 2, Issue 2, 2025 Read article
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Studies on the Self-Assembly of Steroids and DNA Mediated by Naphthalene based Amphiphilic Block Copolymer
Abstract: Amphiphilic block copolymers have attracted considerable interest in pharmaceutical and biomedical applications, including controlled drug release, gene delivery, and biomolecular sensing. In this study, fluorescent amphiphilic block copolymers were designed to facilitate interactions with biological molecules such as DNA and antiviral agents, enabling their behavior to be monitored through fluorescence spectroscopy. Two novel block copolymers, poly(methyl methacrylate) - b - poly(dimethylaminoethyl methacrylate - co - naphthyl methacrylate) [PMMA-b-P(DMAEMA-co-NMA)] and poly(styrene) …
Published in Journal of Polymer & Composites · Vol. 14, Issue 5, 2026 Read article