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45 articles for “toxicity prediction”
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Role of Fluid Engineering in Biomedical and Healthcare Systems: A Comprehensive Review
Abstract: Fluid engineering — the study and application of fluid behavior, transport, and interaction — has become a cornerstone of modern biomedical and healthcare systems. This review synthesizes the multifaceted roles fluid engineering plays across diagnostics, therapeutics, biomedical devices, and physiological modeling. Micro-fluidics enables precise manipulation of microliter and nanoliter volumes, facilitating rapid point-of-care diagnostics, high-throughput screening, and the fabrication of uniform nano particles for targeted drug delivery. In cardiovascular medicine, …
Published in Trends in Mechanical Engineering & Technology · Vol. 16, Issue 1, 2026 · pp. 1–5 Read article
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Assessing the Risk of Working with Chemicals in an Automotive Unit
Abstract: Today's human life is mixed with chemicals that can affect human health independently or independently. Also, many occupational diseases are caused by chemicals. Prevention of occupational diseases caused by exposure to life chemicals It saves people and improves the quality of life of other workers. The purpose of this study is to know the risks caused by chemicals, to evaluate It is the risk of hazards and the proposal of …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 15, Issue 3, 2024 · pp. 36–42 Read article
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Machine Learning Framework for Optimizing Polymer–Metal Oxide Composites as Charge Selective Layers in Perovskite Solar Cells
Abstract: To achieve high-performance and stability of perovskite solar cells (PSCs), it was important to incorporate innovative interfacial materials to tune the balanced charge extraction, low recombination, and enhanced operational lifespan. On this note, polymer composites with metal oxides have been proposed as promising candidates as charge selective layers (CSLs), whereby they present a rare combination of tunable energy levels, improved film forming abilities, and better interface engineering capabilities. In this …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 1073–1098 Read article
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Assessing Nanomaterial Toxicity and Environmental Behavior: Toward Sustainable and Safe Nanotechnology
Abstract: The rapid advancement of nanotechnology has introduced engineered nanomaterials into diverse sectors including medicine, agriculture, electronics, and consumer products. However, the unique physicochemical properties that make nanomaterials valuable also raise significant concerns about their potential toxicity to human health and ecological systems. This study presents a comprehensive survey-based analysis of 400 respondents from diverse professional backgrounds across seven countries to assess perceptions and understanding of nanomaterial toxicity mechanisms and environmental …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 28, Issue 1, 2025 · pp. 1–11 Read article
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Precision Medicine for Neurofibromatosis Type 1: Progress and Prospects in Drug Discovery
Abstract: Objective: The development of neurofibromas, café-au-lait spots, and other neurological problems are the hallmarks of neurofibromatosis type 1 (NF1), a hereditary disorder. The dearth of efficacious pharmaceutical therapies underscores the need for novel therapeutic approaches, even in the face of clinical variability. Through very accurate prediction of the binding affinity of possible therapeutic drugs with the target protein, the computational technique known as “molecular docking” has become a potent tool …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 01–15 Read article
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Exploring Potential Phytochemicals for Myasthenia Gravis Treatment: A Molecular Docking and ADME Analysis Approach
Abstract: Objective: Muscle feebleness and exhaustion derived from a disruption in neuromuscular transference are hallmarks of the crippling autoimmune disease myasthenia gravis (MG). The drawbacks of the current MG therapy options are frequently partial efficacy and adverse effects. To investigate the potential of phytochemicals in MG control, in this work we integrated molecular docking with ADME (absorption, distribution, metabolism, and excretion) analysis using a computer method. We identified molecules exhibiting favorable …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 2, 2024 · pp. 1–13 Read article
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Pharmacovigilance And Drug-Induced Toxicities: A Clinical Perspective
Abstract: Pharmacovigilance, which aims to detect, assess, and prevent medication-induced toxicities and adverse drug reactions (ADRs), is a crucial part of healthcare. This study examines the several kinds of drug-induced toxicities, such as idiosyncratic, dose-dependent, and allergic reactions, and emphasizes the function of clinical pharmacists in the tracking and treatment of these illnesses. Pharmacovigilance systems are crucial because they can identify and handle drug-related safety issues that might not surface during …
Published in Research and Reviews: A Journal of Toxicology · Vol. 14, Issue 3, 2024 · pp. 17–30 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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A Study on “Clean" in Beauty: A Machine LearningApproach to Ingredient Transparency and ConsumerTrust
Abstract: The burgeoning "clean beauty" market, while driven by consumer demand for safer and more sustainable products, is plagued by ambiguous definitions and the pervasive challenge of "greenwashing". This ambiguity hinders informed consumer choices and complicates brand authenticity. This study addresses these complexities by developing a novel machine learning (ML) framework designed to objectively analyze cosmetic ingredient lists, classify products based on their "cleanliness" profile, and identify key ingredient attributes that …
Published in Recent Trends in Cosmetics · Vol. 3, Issue 1, 2026 · pp. 1–12 Read article
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In Silico Molecular Docking Studies of Phytocompounds from Melissa officinalis Against MPXV Poxin Target
Abstract: Objectives: This study aimed to evaluate the inhibitory potential of phytocompounds of Melissa officinalis against the MPXV poxin protein target, a key virulence factor in monkeypox infection. Methods: Molecular docking performed using PyRx, a virtual screening software, was conducted to predict the binding affinities of the compounds to MPXV poxin. Prior to docking, the compounds were subjected to comprehensive analysis, including Lipinski's rule of five, evaluation of physicochemical properties, pharmacological …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 25–38 Read article
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Drug-Induced Liver Injury: Hepatotoxicity and Treatment - A Literature Review
Abstract: Drug-induced liver injury (DILI) is a major clinical and regulatory challenge, posing risks to patient safety and drug development worldwide. As the primary organ responsible for xenobiotic metabolism, the liver is particularly susceptible to toxic injury from prescription drugs, over-the-counter medications, herbal products, and dietary supplements. Drug-induced liver injury (DILI) accounts for a substantial proportion of acute liver failure cases and remains a leading cause of post-marketing drug withdrawal. Its …
Published in Research and Reviews: A Journal of Toxicology · Vol. 16, Issue 1, 2026 · pp. 1–17 Read article
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Computational Biomodeling: Transforming Drug Design with Advanced Simulations
Abstract: Computational biomodeling has emerged as a transformative approach in the field of drug discovery, significantly enhancing the efficiency and precision of identifying and optimizing potential drug candidates. This article explores the various computational techniques utilized in drug design, including molecular docking, molecular dynamics (MD) simulations, free energy calculations, and virtual screening, and examines how these methods collectively contribute to the drug development process. The integration of these advanced simulations allows …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 3, 2024 · pp. 24–29 Read article
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AI-Driven Pharmacogenomics and Precision Medicine: Future of Personalized Therapy
Abstract: Pharmacogenomics and artificial intelligence (AI) are emerging as important drivers of precision medicine, enabling healthcare systems to adopt individualized therapeutic approaches. Pharmacogenomics examines how genetic variations influence drug response, efficacy, metabolism, and toxicity, while AI provides advanced computational tools for analyzing complex genomic and clinical data. This review highlights the integration of AI-driven pharmacogenomics in personalized therapy and its potential to improve treatment outcomes. Machine learning, deep learning, natural language …
Published in Emerging Trends in Personalized Medicines · Vol. 3, Issue 2, 2026 · pp. 1–12 Read article
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Personalized Therapy Using Drug Delivery Devices
Abstract: The persistent challenge in modern medicine lies in inter-patient heterogeneity, rendering standardized drug dosing protocols suboptimal for many chronic conditions. Traditional pharmacokinetics fail to account for real-time biological fluctuations, leading to cycles of ineffective treatment or dose-limiting toxicity. This paper explores the critical intersection of advanced drug delivery devices (DDDs) and personalized medicine, positioning these technologies as the vital link translating genomic and biological data into tangible, patient- specific interventions. …
Published in Emerging Trends in Personalized Medicines · Vol. 3, Issue 1, 2026 · pp. 53–62 Read article
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Polymer Nanocomposites As Emerging Platforms in Pharmaceutical Nanotechnology
Abstract: Nanotechnology allows the handling of materials in the 1–100 nm range, where distinct physicochemical phenomena, including quantum effects and higher surface-to-volume ratio, enable disruptive uses in pharmaceuticals and biomedicine. Significant challenges in solubility, stability and targeted biodistribution of therapeutics can be overcome by incorporating nanostructured polymers and polymer-based composites into drug delivery systems. PLGA nanoparticle and other nanocarriers, such as PLGA micelles, dendrimers, and hydrogels, have revealed promising effects on …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 268–278 Read article
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Toxicological Optimization and Assessment of Buccal Films Containing Felodipine Co-crystals to Enhance Bioavailability
Abstract: The preformulation study of felodipine was carried out and it was found that the drug is poorly water soluble. The co-crystals were prepared using three different co-formers sorbitol, ascorbic acid and oxalic acid. The solublity enhancement was observed in combination with sorbitol compared to other co-formers used. The characterization of co crystals was performed like PXRD, FTIR, SEM Analysis. XRD results indicates the amorphous form of the drug. The co-crystals …
Published in Research and Reviews: A Journal of Toxicology · Vol. 14, Issue 2, 2024 · pp. 10–29 Read article
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Exploring the Potential of Allium sativum Phytocompounds as B-Cell Leukemia 2 Inhibitors in Acute Lymphoblastic Leukemia: Molecular Docking Study
Abstract: Objective: Acute lymphoblastic leukemia (ALL) is a lymphoid progenitor cell malignancy that could be treated with plant-based drugs, thus alleviating the off-target effects caused by conventional chemotherapy. Since ancient days, Allium sativum has been an integral part of traditional medicine and an excellent antimicrobial, antioxidant, and antiproliferative agent. Hence, this study aims to assess the anti-leukemic potential of A. sativum phytoconstituents as the B-cell leukemia 2 protein (Bcl-2) natural inhibitor …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 53–80 Read article
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Magnetic and Radioactive Nanoparticles for Improved Theranostics and AI Assisted Radiation Therapy
Abstract: Nanoparticles based therapeutic and theranostics technique is becoming an active area of research in nanomedicine. The sensitivity, biocompatibility, and stability of magnetic and radioactive nanoparticles determine their functionality. This research highlights the impacts of magnetic and radioactive nanoparticles on therapeutic techniques namely, cell therapy, gene therapy, and tissue regeneration. Then, it is intended to brief a principal role of these therapeutic techniques to envisage theranostics medicine and radiation therapy using …
Published in International Journal of Advance in Molecular Engineering · Vol. 3, Issue 2, 2025 · pp. 10–21 Read article
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Role of Carboxylesterases in Xenobiotic Metabolism and Detoxification: Insights for Cheminformatics Approaches
Abstract: Xenobiotics, which include a wide range of environmental pollutants, food additives, drugs, and carcinogens, are foreign chemical entities that enter the human body and may accumulate, leading to toxic effects. Phase I and phase II metabolic responses are among the detoxification procedures that are necessary to lessen these negative consequences. This review highlights the pivotal role of carboxylesterases (CES), enzymes involved in the hydrolysis of ester, amide, and thioester bonds …
Published in International Journal of Cheminformatics · Vol. 2, Issue 2, 2024 · pp. 9–17 Read article
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Looking into new ideas in green chemistry
Abstract: Green chemistry has become a revolutionary way to change chemical processes such that they have less of an effect on the environment while still being efficient and cost-effective. This article looks at new developments in green chemistry that go beyond small changes and offer completely new ways to build chemicals that are good for the environment. There is a lot of focus on innovative catalytic systems, sustainable feedstocks, reaction pathways …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 1, 2026 · pp. 10–18 Read article