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81 articles for “toxicity analysis”
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Targeting Dystrophin Restoration and Neuroprotection in Duchenne Muscular Dystrophy: Insights from Withania somnifera
Abstract: Duchenne muscular dystrophy is a genetic disorder. This disease affects men more common than women. Main objective of the present study was to identify the naturally active phytocompounds from Withania somnifera (Ashwagandha). Ashwagandha has a great value in the field of Ayurveda and Indian medicine and is used for treating muscular and neurological disorders. Toxicity prediction, molecular docking, statistical information, drug illness prediction, and Absorption, distribution, metabolism, excretion, and toxicity …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 2, 2024 · pp. 64–84 Read article
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Exploring The Therapeutical Potential Of Pongamia Pinnata For Herpes Simplex Virus Type 1 (HSV-1)
Abstract: Objective: Pongamia pinnata (L.), commonly known as Indian beech or pongam tree, is a tropical plant renowned for its medicinal properties in traditional medicine systems. Extracts derived from various parts of Pongamia pinnata have demonstrated antimicrobial, anti-inflammatory, and immunomodulatory activities. Such attributes make it a compelling candidate for exploring its therapeutic potential against HSV infections. Thymidine kinase is the target protein mostly used in the treatment of HSV1 infections. In …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 15, Issue 1, 2025 · pp. 1–9 Read article
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Exploring the Dynamic Mechanical Analysis and Biocompatibility of Compression-Molded PMMA for Biomaterial Applications
Abstract: Metals such as titanium, cobalt, and magnesium are commonly used as biomaterials. However, their use can lead to tissue reactions due to the formation of foreign bodies which may cause blood cancer. Researchers have addressed this issue by substituting biomaterials with polymethyl methacrylate materials (PMMA). The PMMA material being studied is produced using the compression molding technique. This article examines the mechanical properties and biotoxicity of PMMA. These materials have …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 482–499 Read article
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Assessment of Diuretic Activity of Hydroalcoholic Extract of Matricaria Chamomilla (Linn.) and Its Phytochemical Analysis with Emphasis on Toxicology
Abstract: While the traditional medicines are derived from medicinal plants, minerals and organic matter, the herbal drugs are prepared from medicinal plants only. This current research work will be very beneficial in figuring out the Matricaria chamomilla leaves extract diuretic effect by determining the ions and electrolyte excreted by the animals using ion selective channel inhibition. The phytochemical screening results revealed that the after which it was observed whether the alkaloids …
Published in Research and Reviews: A Journal of Toxicology · Vol. 14, Issue 1, 2024 · pp. 1–10 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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Screening Phytocompounds of Tinospora cordifolia to Find Potential Drug Targets for Cystic Fibrosis
Abstract: This study aimed to evaluate the therapeutic potential of phytocompounds derived from Tinospora cordifolia in treating cystic fibrosis (CF), a genetic disorder caused by mutations in the CFTR gene that lead to severe respiratory and digestive complications. Phytocompounds were retrieved from the IMPPAT database and subjected to molecular docking simulations using PyRx to assess their binding affinity to the CFTR protein. The top-scoring compounds – sterol, magnoflorine, tembetarine, kaempferol, and …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 3, Issue 1, 2025 · pp. 16–24 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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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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In Silico Analysis and Docking Study of the Active Phytocompounds of Bacopa monnieri Against Alzheimer Disease
Abstract: Objective: Alzheimer’s is a neurodegenerative disease and is the cause of 60–70% of cases of dementia. It infected a million people worldwide. An effort was undertaken to explore the potential of natural compounds found in Bacopa monnieri, a plant renowned for its extensive medicinal properties in Indian Ayurveda, to combat the disease. This was achieved through molecular docking studies, evaluation of drug-likeness, and comprehensive ADME (absorption, distribution, metabolism, and excretion) …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 1–13 Read article
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Computational Exploration of Bhrijraj-derived Phytochemicals as Potential Anti-inflammatory Agents: A Molecular Docking Study with Cyclooxygenase-II Complex
Abstract: The molecular docking analysis was meticulously conducted using state-of-the-art computational tools, notably Chimera and Python. These tools were employed to unravel the complex interactions between the identified phytochemicals from Bhrijraj and the target protein, COX-II. The 3D structures of the phytochemicals were prepared with precision using ChemSketch, ensuring accuracy in the subsequent molecular docking simulations. This rigorous approach enhances the reliability and validity of the findings. This research aims to …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 31–37 Read article
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Molecular Docking, QSAR Modeling, and ADMET Evaluation of Novel Pyrazolo-Pyrimidine Derivatives as Potential CDK-2 Inhibitors for Cancer Therapy
Abstract: Cyclin-dependent kinase-2 (CDK-2) is an essential regulator in cell cycle progression and is an important therapeutic target in cancer drug development. In the present study, an integrated computational approach involving molecular docking studies, QSAR modeling, ADMET prediction, and artificial intelligence-based analysis was used to identify pyrazolo-pyrimidine derivatives as potential CDK-2 inhibitors. Based on the molecular docking results, it was found that selected compounds exhibited high binding affinity towards the ATP …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 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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Harnessing Honeybee Venom For Cancer Treatment: A Natural Remedy In Oncology
Abstract: Honeybee venom (HBV) has harvested significant attention as a promising natural compound with therapeutic potential in cancer treatment. This review investigates deeply into the current scientific understanding of honeybee venom, focusing on its anticancer mechanisms, molecular interactions, and potential clinical applications. Honeybee venom comprises various bioactive components, including melittin, apamin, phospholipase A2, and other peptides, which exhibit a wide range of biological activities. Recent research has demonstrated its ability to …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 1, 2025 · pp. 10–14 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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Zebra Fish Embryo Assay: A Wonderful Tool for Ecotoxicological Risk Assessment with Special Reference to Heavy Metals - An Overview
Abstract: In recent years, environmental pollution has become a pressing concern, prompting extensive research in aquatic ecotoxicology. With environmental degradation getting worse day by day, ecotoxicology research has gained a lot of attention. This area of study examines how biological communities in aquatic environments are affected by environmental contaminants. To unravel the toxicological mechanisms of these exogenous compounds, scientists turn to biological models. Several aquatic species, including zebrafish, toads, and big …
Published in International Journal of Toxins and Toxics · Vol. 2, Issue 2, 2025 · pp. 56–70 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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The Effect of Attachment Styles on Emotional Regulation Impacting Relationship Satisfaction: An Exploratory Case Study Design
Abstract: This study explores the impact of early attachment experiences, emotional regulation, and relationship dynamics among six participants through a qualitative case study approach. Using thematic and narrative analyses, the research identifies key patterns in emotional suppression, fear of abandonment, trust issues, and self-awareness. Participants' narratives reveal how childhood experiences with caregivers influenced their emotional regulation strategies and attachment styles in adulthood. Findings indicate that those with secure emotional upbringings exhibited …
Published in International Journal of Behavioral Sciences · Vol. 2, Issue 2, 2025 · pp. 1–17 Read article
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Gradient Boosted Regression Tree Approach to Predicting Toxic Interactions on X and YouTube
Abstract: In the digital age, social media platforms play a vital role in facilitating user engagement, encompassing both positive interactions and avenues for negative, often harmful behaviors. Recognizing and addressing toxic exchanges is paramount to nurturing healthy online communities and preserving users’ well-being. This study introduces a novel method for identifying toxic interactions by utilizing Gradient Boosting Regression Trees (GBRT) algorithm, a machine learning approach renowned for its exceptional accuracy and …
Published in Trends in Opto-electro & Optical Communication · Vol. 15, Issue 3, 2025 · pp. 7–14 Read article
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Molecular Docking Studies for the Identification of Mycobacterial Adenosine Triphosphate (ATP) Synthase Inhibitors Using Active Phytocompounds from Plants Curcuma longa, Curcuma zedoaria and Galipea officinalis
Abstract: Objective: Tuberculosis (TB), known in human history for several decades, remains the second leading infectious disease after COVID-19. Still, the occurrence of TB increases due to the bacterium’s greater survival nature. They can survive in extreme conditions by being in long latency and adapting to the host. This study seeks to identify potential inhibitors from Curcuma longa, Curcuma zeodaria, and Galipea officinalis based on ancient folklore and compare them against …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 16–26 Read article
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Impact of Fly Ash Pollution on Quality of Agricultural Soils Around Thermal Power Station
Abstract: The coal-fired Khaparkheda Thermal Power Station (KTPS) and its fly ash pond in Nagpur District, Maharashtra, India has been responsible for serious fly ash pollution incidents of agricultural soil. The present study was carried out on the quality of soil samples around the fly ash pond and KTPS. The physicochemical and chemical characteristics of soil samples were observed to be affected due to fly ash pollution. The fertility of soil …
Published in Research & Reviews : Journal of Ecology · Vol. 14, Issue 1, 2025 · pp. 6–17 Read article