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66 articles for “molecular profiling”
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Revolutionizing Vaccine Development:The Transformative Role of Bioinformatics in Designing Next-Generation Immunotherapies
Abstract: Vaccines have long been central to the prevention and control of infectious diseases, dramatically reducing morbidity and mortality worldwide. In the modern era, the integration of bioinformatics has revolutionized vaccine development by enabling rapid, precise, and cost-effective identification of potential vaccine targets. This seminar explores the multifaceted applications of bioinformatics in vaccinology, including antigen discovery, epitope prediction, structural modeling, molecular docking, and immunoinformatics-driven vaccine design. Special emphasis is placed on …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 12, Issue 3, 2025 · pp. 19–33 Read article
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Investigation of Electronic Transport Characteristics of Co-Doped B40 Molecular Junction for Detection of Isoprene: A DFT Study
Abstract: The early identification of lung cancer is crucial and it can be diagnosed non-invasively by assessing the exhalation. Analysing a patient's breath profile can reveal malignant growths in their lungs. In this work, B40 co-doped with indium and iron is used as a molecular junction to sense isoprene, a well-known lung cancer biomarker present in the exhalation. The electronic transport characteristics of the molecular junction designed for isoprene detection are …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 907–916 Read article
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Molecular Docking Analysis of Phytocompounds from Ficus hispida Aagainst Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 Read article
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Molecular Docking Analysis of Phytocompounds from Ficus hispida Against Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 48–62 Read article
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Molecular Docking of Arjuna Tree Phytocompounds for Ischemic Heart Disease
Abstract: Heart disease is a serious condition that can be caused by several lifestyle changes and sometimes genetic problems. The primary protein component of apolipoprotein is the LDL receptor, which indicates that a reduction in LDL levels can reduce the risk of ischemic heart disease. Apolipoprotein levels are associated with increased levels of ischemic heart disease. Using ADMET analysis, drug likelihood prediction, and molecular docking, this work attempted to find natural …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 42–52 Read article
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Computational Screening of Vitex negundo Compounds for Potential Arthritis Therapies in India
Abstract: Objective: Arthritis is a pervasive medical condition that manifests as inflammation and discomfort within the joints. As of September 2021, arthritis has affected an estimated 180 million people in India, making it a substantial public health concern with a considerable impact on individuals' quality of life and healthcare systems. Therefore, using molecular docking, drug-likeness prediction, and ADME analysis, an effort was made to identify natural compounds from Vitex negundo, which …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 01–18 Read article
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Deciphering Th-Related Gene Interactions in Chronic Spontaneous Urticaria: Bioinformatics Insights and Drug Affinity Exploration
Abstract: Objective: There has been a great deal of interest in how inflammatory dermatosis and The cell interact, but the etiopathogenesis of chronic spontaneous urticaria (CSU) is still inadequately comprehended. Through bioinformatics techniques, the purpose of this work is to elucdate the molecular mechanism underlying Th-related genes in CSU and seeks to find the highest affinity drug. Methods: The CSU RNA expression profiling dataset provided the basis for the investigation. The …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 1, 2024 · pp. 1–15 Read article
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Extended Spectrum Beta-Lactamase Production By Acinetobacter baumannii Isolated From Hospital Environment
Abstract: Extended spectrum β-lactamases production was determined by Double Disc synergy test for twenty one bacterial isolates of Acinetobacter bumannii isolated from the hospital environment. This study investigates the prevalence, genetic mechanisms, and clinical implications of ESBL production by A. baumannii. We employed molecular techniques to identify and characterize ESBL genes in clinical isolates, alongside evaluating their susceptibility profiles against a range of antibiotics. These resistant strains were notably associated with …
Published in International Journal of Antibiotics · Vol. 2, Issue 1, 2025 · pp. 71–78 Read article
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Extracellular Vesicle-Based Liquid Biopsies: Decoding the Tumor Microenvironment for Precision Oncology
Abstract: The tumor microenvironment (TME) plays a pivotal role in cancer initiation, progression, and therapeutic response. Decoding the TME is, therefore, essential for advancing precision oncology. Extracellular vesicles (EVs), including exosomes and microvesicles, are nanoscale lipid bilayer particles secreted by tumor and stromal cells. They transport a wide range of bioactive molecules, such as DNA, RNA, proteins, lipids, and metabolites, which reflect the dynamic state of the TME. Recent advances in …
Published in Research and Reviews: Journal of Oncology and Hematology · Vol. 15, Issue 1, 2026 · pp. 43–62 Read article
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Molecular Pharmacokinetics and Structural Docking of Phenolic Acids for Targeting NF-κB Pathway Components in Inflammation and Fibrosis: A Computational Approach Toward Therapeutic Discovery
Abstract: Inflammation and Fibrosis are critical pathological processes associated with various chronic diseases, often mediated by the nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) signaling pathway. This study investigates the therapeutic potential of phenolic acids as modulators of the NF-κB pathway, aiming to identify novel ligands that can effectively interact with key components of this signaling cascade. A comprehensive computational approach was employed, utilizing molecular docking, pharmacological screening, and post-docking …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 1, 2025 · pp. 14–31 Read article
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The Parasitic Fingerprint: Tracing Infection to Host Illness
Abstract: Parasitic infections remain a major global health burden, causing significant morbidity and mortality, particularly in tropical and subtropical regions. A critical aspect of disease pathogenesis is the unique molecular and cellular imprint left by parasites in their hosts, termed the “parasitic fingerprint.” These fingerprints encompass parasite-derived proteins, nucleic acids, metabolites, extracellular vesicles, and host responses, including gene expression changes, cytokine profiles, and metabolic adaptations. Advances in multi-omics technologies, which integrate …
Published in Recent Trends in Infectious Diseases · Vol. 3, Issue 1, 2026 · pp. 29–50 Read article
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Computational Investigation of Withania somnifera Compounds Targeting S. pombe SMN YG-Dimer in Spinal Muscular Atrophy: Insights from Molecular Docking Analysis
Abstract: Objectives: The primary objective of this study is to determine the potential of phytochemical constituents of Withania somnifera in treating spinal muscular atrophy, an autosomal recessive genetic neurodegenerative disorder, through computational techniques. To investigate the binding affinity of phytocompound to the target protein S. pombe SMN YG-Dimer through molecular docking. Besides, evaluating the pharmacological attributes of phytochemical constituents to assess their ability as an ideal prospect for developing therapeutic medication. …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 39–52 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 Phytochemicals from Ricinus Communis for Potential Therapeutic Applications in Rheumatoid Arthritis: An in-Silico Approach
Abstract: Aim: Rheumatoid arthritis (RA) is a long-term autoimmune condition characterized by the immune system mistakenly attacking the joints, leading to swelling, discomfort, and joint deformities. Current management strategies include anti-rheumatic drugs and biologics, which have limitations. This study aims to explore the therapeutic potential of Ricinus communis (castor bean plant) phytochemicals as plant-based therapies for autoimmune conditions, like RA. Methods: Phytochemicals from Ricinus communis were retrieved using the IMPPAT database, …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 32–41 Read article
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Generative AI-Based Inverse Design of Sustainable Biodegradable Polymers with Target Mechanical and Thermal Properties
Abstract: The escalating global plastic pollution crisis has intensified the urgent need for sustainable biodegradable polymer alternatives that can match or exceed the performance of conventional petroleum-based plastics while minimizing environmental impact. However, traditional polymer discovery approaches are severely constrained by high experimental costs, protracted development cycles spanning years, and fundamental inability to simultaneously optimize multiple conflicting material properties such as mechanical strength, thermal stability, and degradation kinetics. This study presents …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Pharmacological Comparison of Turmeric and Non-Steroidal Anti-Inflammatory Drugs in Pain Relief
Abstract: Pain is one of the most frequently encountered clinical symptoms affecting millions globally and is typically treated pharmacologically with nonsteroidal anti-inflammatory drugs (NSAIDs). However, long-term use of NSAIDs is associated with adverse effects such as gastrointestinal, renal, and cardiovascular issues. In recent years, turmeric and its main active compound, curcumin, have received considerable attention for their reported anti-inflammatory, analgesic, and antioxidant properties as natural therapeutic options. This review seeks to …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 13, Issue 1, 2026 · pp. 19–28 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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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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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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Clone-Specific Drug Delivery Systems: Targeted Approaches and Future Clinical Applications
Abstract: Clone-specific drug delivery systems represent a transformative frontier in personalized medicine, addressing the longstanding challenge of clonal heterogeneity within diseases such as cancer, infectious diseases, and autoimmune disorders. Traditional drug delivery platforms often fail to discriminate between pathogenic and healthy cells, leading to systemic toxicity and reduced therapeutic efficacy. In contrast, clone-specific systems aim to selectively target and eliminate disease-driving cellular clones based on unique molecular signatures, thereby improving treatment …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 21–29 Read article