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83 articles for “toxic compounds”
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QSAR Modeling Techniques: A Comprehensive Review of Tools and Best Practices
Abstract: Quantitative Structure–Activity Relationship (QSAR) modeling has become an essential tool in drug discovery, toxicity assessment, and environmental chemistry. By correlating chemical structure with biological activity or toxicity, QSAR enables the prediction of compound behavior without extensive experimental testing. This approach not only saves time and resources but also supports ethical practices by reducing reliance on animal studies. The evolution of QSAR from basic linear models to advanced machine learning and …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 56–63 Read article
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Biochemical Estimation of Allaxon Induced Hyperglycemia in Rats Treated with Polyherbal Preparation of Two of Indian Medicinal Plants Cordia Myxa and Canscora Diffusa
Abstract: A systematic study was conducted on extracts of Cordia myxa and Canscora diffusa to evaluate their qualitative chemical composition, phytochemical content, and antidiabetic activity. Then the Poly herbal extract is prepared with the selected plant powders, subjected to acute-toxicity studies for dose fixation. The herbal extracts formulation was prepared taking three selected dosages. The preparations are evaluated for anti-diabetic activity using Steptozotocine and Alloxan induced diabetic models in rats. The …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 14, Issue 3, 2024 · pp. 52–60 Read article
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Chemical Profile and Toxicity of Fresh and Dry leaves of the Essential Oils of Vetiveria zizanioides (L.) Nash. From Southwest Nigeria
Abstract: The fresh and dry leaves of Vetiveria zizanioides (L.) Nash (Gramineae) plant was collected, air dried and authenticated at the University of Ibadan Herbarium with voucher number: UIH-23237. The plant's dried, fresh leaves were hydro distilled in a Clevenger device to extract the essential oils. The oils were characterized by Gas Chromatography-Mass Spectrometry (GC – MS) while the toxicity of the essential oils was tested using brine shrimps’ lethality assay. …
Published in Recent Trends in Cosmetics · Vol. 1, Issue 1, 2024 · pp. 44–49 Read article
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A Comprehensive Review on Coumarin Derivatives
Abstract: Coumarins are naturally occurring compounds found in plants, fungi, and microorganisms with diverse bioactivities. They have antithrombotic, anti-inflammatory, antioxidant, antimicrobial, antiviral, anticancer, and neuroprotective properties. Extracting coumarins, using methods like maceration and microwave- assisted extraction, is crucial for their applications. However, safety and toxicology are important, especially in pharmaceuticals, cosmetics, and food additives. Consuming moderate amounts of coumarin-rich foods is generally safe, but excessive intake raises concerns about hepatotoxicity and …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 1, 2025 · pp. 72–80 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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Valeton Phytoconstituents from Curcuma Phaeocaulis as Prion Protein Mutant V210I Inhibitors: A Computational Docking and Virtual Screening Study
Abstract: Objective: Creutzfeldt-Jakob disease (CJD), a neurological disorder that is sporadic, fatal, communicable, and worsens rapidly, is caused by abnormal folding of prion proteins. Identifying and assessing the potential of phytocompounds from the Curcuma phaeocaulis Valeton plant as a new therapeutic candidate aimed at the treatment of CJD is the objective of this research article. Methods: In this experiment, we assessed outcomes following an in-silico assessment to design a new oral …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 2, 2023 · pp. 1–16 Read article
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Dioxin Sources, Types, Toxicity, and Removal Technologies: A Review
Abstract: This review provides a comprehensive investigation of dioxin, an endocrine-disrupting compound, and its impacts on environment and human health. Dioxin have antagonistic effects on hormones. It is pivotal to identify the origin of dioxin exposure for the well-being of environment and human health. Hence, the sources of dioxin, its dispersion, concentrations in air, water and soil medias, and health effects are discussed in detail. Endocrine disrupting compounds are categorized into …
Published in Journal of Industrial Safety Engineering · Vol. 11, Issue 1, 2024 · pp. 11–19 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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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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Health Hazards of Nanoparticles and Environmental Pollutants
Abstract: The exponential growth in the use of nanoparticles and the prevalence of environmental pollutants have raised significant concerns regarding their health hazards. Nanoparticles, owing to their unique physicochemical properties—such as small size, high surface areatovolume ratio, and chemical reactivity—can penetrate biological barriers, including the bloodbrain barrier, and interact at the cellular and molecular levels. This can lead to oxidative stress, inflammation, and cellular dysfunction, ultimately resulting in potential toxicity. Similarly, …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 1, 2025 · pp. 1–9 Read article
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Characterization Of Senna Occidentalis (Link.) Seed Extract
Abstract: Senna occidentalis (L.) Link commonly known as "coffee senna" or majamfari/rai dore in Hausa is a plant with a long history of traditional and medicinal uses against diseases such as inflammation, pains, and diabetes. This study presents characterization of the bioactive compounds of the seed extracts. Physicochemical analysis of seed powder was carried out following standard procedures. Qualitative phyto-chemical contents were determined for the presence and absence of major metabolites. …
Published in Research & Reviews : Journal of Botany · Vol. 13, Issue 3, 2024 · pp. 13–22 Read article
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A Comprehensive Review on Pharmacological Properties of Coumarins
Abstract: Coumarins are a diverse group of secondary metabolites found in a variety of plant species (over 1200 different coumarins have been identified from natural sources, especially plants), as well as in fungi and microorganisms. Coumarin is a simple, widely occurring chemical structure in nature, present in many plants, fungi, and bacteria. In recent years, these natural compounds have attracted growing interest from the scientific community due to their broad spectrum …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 2, 2024 · pp. 12–17 Read article
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Extraction of Copper from Electronic Waste (E-Waste): A Review
Abstract: The issue of electronic waste, or e-waste, is indeed a significant global concern with far-reaching environmental and health implications. As technology continues to advance and become more integrated into our daily lives, the disposal of obsolete or broken electronic devices has become a pressing issue. This waste not only contains valuable metals but also toxic substances, posing significant challenges for disposal and management. Improper disposal of e-waste is a significant …
Published in Journal of Materials & Metallurgical Engineering · Vol. 14, Issue 1, 2024 · pp. 14–27 Read article
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Study the Impact of Corrosive Pollutants on Building Materials Corrosion
Abstract: Reinforced concrete structures (RCS) may be made more resistant to corrosion by using fiber reinforced polymers (FRP). One of the primary concerns with reinforced concrete constructions is corrosion. It causes disintegration in building material components by interactions with salts, acids, and alkalis. Both within and outside of reinforced properties, pollutants and effluents accelerate disbanding. When bio-waste and building materials come into contact, microorganisms and macro organisms, grow and emit acid …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 2, Issue 2, 2024 · pp. 20–29 Read article
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Flavonoids: An Answer to Chronic Diseases
Abstract: It has been shown that inflammation is closely associated with the onset or exacerbation of quite a few non-communicable human diseases. Several chronic diseases, such as cancer, diabetes, cardiovascular dysfunction and central nervous system damage are also developed following tissue injury produced by the high fragments of low-grade inflammation surrounding a compromised tissue or organ due to its acquired genomic changes. Current therapies for many of these diseases are associated …
Published in International Journal of Advance in Molecular Engineering · Vol. 2, Issue 1, 2024 · pp. 31–37 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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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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Natural and synthetic pesticide and their effect on life
Abstract: Natural and synthetic pesticides both play roles in pest control but differ significantly in their impact on life and the environment. Natural pesticides, often derived from plants and microorganisms, are biodegradable, eco-friendly, and generally exhibit lower toxicity to non-target organisms and humans. Synthetic pesticides, while highly effective in pest control and used extensively in conventional agriculture, tend to have greater toxicity, persist longer in the environment, and pose more significant …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 3, 2025 · pp. 8–13 Read article
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A Research on the Additives and Regulatory Requirements for Pediatric Formulation
Abstract: These days, pediatric considerations are incorporated early on in the creation of new medications. The guidelines and policies of European drug regulatory bodies served as the foundation for our investigation. The review comprehensively outlines excipients commonly found in pediatric medicine formulations. It identifies potentially harmful compounds flagged by scientific literature, stressing the necessity of rigorous safety checks, often involving toxicity studies. Excipients included in pediatric databases, like the STEP database, …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 11, Issue 1, 2024 · pp. 28–45 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