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268 articles for “discovery”
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Secondary Metabolites in Drug Development: Tracing Their Historical and Therapeutic Impact
Abstract: Secondary metabolites, also known as natural products, exhibit a level of structural and chemical diversity unmatched by synthetic small molecule libraries. These compounds, which have evolved to possess drug-like properties, continue to be a primary source for new medications and drug leads. Their discovery has significantly impacted advancements in chemistry, biology, and medicine, influencing drug development and therapeutic strategies throughout history. Derived from primary metabolic pathways such as photosynthesis, glycolysis, …
Published in Emerging Trends in Metabolites · Vol. 1, Issue 2, 2024 · pp. 51–55 Read article
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Elevating Seamless Housing Navigation with Precise Recommendations for Personalized Rental Experiences
Abstract: The demand for rental housing has increased significantly in recent years, making more effective and individualized methods of housing navigation necessary. Renters become frustrated and ineffective when using traditional ways of researching rental houses since they frequently involve manual searches and little customization. By using sophisticated recommendation systems to deliver exact recommendations catered to user preferences, this research article suggests a novel way to improve house navigation. The proposed approach …
Published in Journal of Artificial Intelligence Research & Advances · Vol. 11, Issue 3, 2024 · pp. 50–62 Read article
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Advancements in Molecular Engineering: Innovations at the Nexus of Chemistry and Technology
Abstract: Molecular engineering, a frontier of chemistry, merges precision and innovation to design and assemble molecular structures with unprecedented control. This abstract explores recent advances, highlighting key breakthroughs and their transformative impacts. Starting with its roots in chemical synthesis and materials science, it traces the evolution towards rational design driven by computational tools and advanced characterization techniques, enabling tailored molecular architectures. A focal point is programmable molecules, where DNA nanotechnology principles …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 37–43 Read article
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Comparative Proteomics: From Cell Lines to Clinical Samples
Abstract: Comparative proteomics is a powerful tool for understanding the molecular differences between various biological samples. It entails identifying and measuring proteins in complex biological samples to assess their abundance, modifications, and interactions under various conditions. This approach plays a crucial role in advancing biomedical research, especially in disease understanding, biomarker discovery, and therapeutic development. While cell lines are widely used for proteomic studies due to their controlled environments and reproducibility, …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 3, 2024 · pp. 30–34 Read article
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Use of AI Tools to Create New Drugs
Abstract: The emergence of artificial intelligence in pharmaceutical research [in drug discovery] is a revolution in pharmaceutical research, often combining computational methods with traditional research methods to solve problems. This review article describes various applications of artificial intelligence at various stages of drug development and highlights significant advances and approaches. He explores the critical role of intelligence in drug design, polypharmacology, drug synthesis, drug repurposing, and prediction of drug properties, such …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 2, 2024 · pp. 22–49 Read article
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Unmasking Human Metapneumovirus: The Emerging Threat to Vulnerable Populations
Abstract: Human Metapneumovirus (HMPV) is a contagious respiratory virus that commonly spreads among individuals. It can cause serious infections, especially in high-risk groups like infants, older adults, and individuals with weakened immune systems.It is a major contributor to acute respiratory illnesses. Since its discovery in 2001, HMPV has been identified as a common cause of both upper and lower respiratory tract illnesses, with clinical presentations ranging from mild symptoms to severe …
Published in International Journal of Virus Studies · Vol. 2, Issue 1, 2025 · pp. 16–24 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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Investigating The Alkalizing Potential of Chandanasava For Restoring Acid-Base Homeostasis in Renal Tubular Acidosis: A Computational and In Silico Pharmacological Study
Abstract: Chandanasava, a traditional Ayurvedic formulation, is recognized for its potential alkalizing properties, which may help restore acid-base homeostasis in conditions such as renal tubular acidosis (RTA). This study aims to investigate the active components of Chandanasava and their interactions with key renal target proteins, Pendrin and Carbonic Anhydrase II, which are essential for maintaining acid-base balance. An in silico approach was utilized to explore the pharmacological potential of the phytochemicals …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 28–52 Read article
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AI-Driven Multi-Objective Optimization of Conductive Polymer Composites for High-Performance Flexible Electronics
Abstract: The development of conductive polymer composites (CPCs) is critical for advancing flexible and wearable electronic technologies. However, the conventional trial-and-error approach to material formulation is time-consuming and often inefficient due to the high-dimensional nature of the design space. This study introduces a novel AI-driven framework that integrates machine learning (ML) with multi-objective optimization to accelerate the discovery of high-performance CPCs. A dataset of 1,000 experimentally reported formulations was compiled, capturing …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 734–745 Read article
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Regression Analysis of Topological Indices and Physicochemical Properties of Polymer-Based Anticancer Drugs
Abstract: The research analyzed the quantitative correlation between topological indices and the physicochemical properties of selected anticancer compounds using regression analysis. Various topological descriptors—such as the First Zagreb Index, Second Zagreb Index, and Forgotten Index were calculated and regressed against key molecular features, including polar surface area, melting point, and molar refractivity. The regression analysis revealed linear correlations between these topological indices and the properties of anticancer drugs, with particularly strong …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 255–267 Read article
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Clinical metabolomics: Useful insights, perspectives, and challenges.
Abstract: Metabolomics provides a comprehensive snapshot of smallmolecule intermediates and end products of cellular processes and thereby links genotype, environment, and phenotype in human disease . Over the last decade, advances in liquid chromatography–mass spectrometry (LC–MS) and nuclear magnetic resonance (NMR) spectroscopy have enabled high-throughput profiling of thousands of metabolites from microliter volumes of clinical samples . Clinical metabolomics is now emerging as a tool for disease diagnosis, risk prediction, therapeutic …
Published in Emerging Trends in Metabolites · Vol. 3, Issue 1, 2026 · pp. 29–37 Read article
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Marine Fungi – An Expandable Source for Production of Novel Bioactive Metabolites: A Comprehensive Review
Abstract: The marine environment, representing the largest and most extreme biome on Earth, serves as an unparalleled reservoir of biodiversity. Within this vast ecosystem, marine fungi have emerged as a prolific source of structurally diverse and pharmacologically active secondary metabolites. Dwelling in habitats characterized by extreme high salinity, high hydrostatic pressure, and low temperatures, these microorganisms have evolved unique biochemical and metabolic pathways to synthesize novel compounds, including pyrrole-imidazole alkaloids, cyclic …
Published in International Journal of Fungi · Vol. 3, Issue 1, 2026 · pp. 30–37 Read article
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Role of Quantum Chemistry in Catalysis: A Comprehensive Review
Abstract: Catalysis plays a crucial role in modern chemical manufacturing, energy conversion, and environmental protection by enabling chemical reactions to occur more rapidly, selectively, and with reduced energy consumption. A fundamental understanding of catalytic processes at the atomic and electronic levels is essential for the rational design and optimization of catalysts. Quantum chemistry has emerged as a powerful theoretical and computational framework that enables detailed investigation of electronic structure, reaction energetics, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 1, 2026 · pp. 01–16 Read article
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An Empirical Analysis of Bluetooth Low Energy Reliability Challenges for Offline Messaging Applications
Abstract: In today's hyper-connected world, modern communication relies heavily on centralised internet infrastructure, making robust offline messaging solutions increasingly essential. A crucial vulnerability is revealed by network failures, natural disasters, and distant region deployments: communication breaks down when internet connectivity does. Due to its low power consumption and almost ubiquitous availability in contemporary smartphones, Bluetooth Low Energy (BLE) has become a promising candidate for offline, device-to-device communications. This study presents an …
Published in Journal of Mobile Computing, Communications & Mobile Networks · 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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Synthesis and Evaluation of New Coumarin Derivatives for Inflammatory Bowel Disease Against DSS-Induced Acute Ulcerative Colitis Mice Model
Abstract: Objective: The discovery of the now numerous mouse models of intestinal inflammation has increased our understanding of the intestinal inflammation that occurs in inflammatory bowel disorders (IBD). This study aimed to investigate the use of a standardized animal model subjected to coumarin derivative treatment, and the action of synthesized molecule administration of dextran sodium sulphate (DSS)- induced colitis in experimental mice. Materials and Methods: We generated a variety of unique …
Published in Journal of Modern Chemistry & Chemical Technology Read article
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Eco-friendly Azadirachta Indica Ash and Miscanthus Fiber Brick for Carbon Neutrality Environment
Abstract: Naturally grown fiber are not utilized properly they are neglected as wastes. These resources are thrown away due to insufficient research being conducted to discover viable uses for naturally existing fibres. These byproducts have a wide variety of applications in the manufacturing sector, notably in the construction sector. The prospective applications of miscanthus fibre, which may be found growing wild in uncultivated places, are investigated in this research. The production …
Published in Journal of Polymer & Composites Read article
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Aloe vera: A Review on Its Medicinal Importance
Abstract: Today, one of the main causes of human infection is the antibiotic resistance of bacteria due to the use of antibiotics which causes the emergence and spread of antibiotic-resistant bacterial strains. The search for the discovery of healthy and effective antimicrobial agents continues. Aloe vera can be used for both therapeutic and preventive purposes in the case of a broad range of bacterial infections. Aloe vera is a medicinal plant …
Published in Research and Reviews : Journal of Crop science and Technology Read article
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In Silico Molecular Docking of Indigofera tinctoria Phytocompounds to Target EGFR/ERK and FGFR/FGF Pathway Proteins Involved in Prostate Cancer
Abstract: Objective: Prostate cancer being the second major cause of cancer-related deaths in males, affects the small walnut-shaped gland below the bladder called the prostate gland. The epidermal growth factor protein (EGFR), cascade protein (ERK), and fibroblast growth factor proteins (FGFR and FGF) are involved in the different signaling pathways that lead to the formation of different products, that are responsible for the progression of cancer and thus can be considered …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 34–56 Read article
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Prediction of Molecular Targets for Anthraquinone and Its Analogs for Treatment of Good Pasteur Syndrome
Abstract: Objective: In order to find prospective molecular targets for the treatment of Good Pasteur Syndrome (GPS), a rare autoimmune disease that affects the kidneys and other organs, computational methods and network pharmacology were applied in this work. The goal of the study is to identify particular human proteins that might interact with anthraquinone and its analogues as well as to uncover potential mechanisms of action by which these drugs might …
Published in International Journal of Bioinformatics and Computational Biology Read article