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200 articles for “compound”
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Organometallic Osmium Compounds in Cancer Therapy
Abstract: The exploration of organometallic complexes with osmium as potential anticancer agents was indeed an area of ongoing research. These complexes were being investigated for their unique properties and mechanisms of action against cancer cells. However, it’s essential to note that the field of scientific research is dynamic, and new findings may have emerged since then. Organometallic complexes with osmium can be designed to exhibit specific features that make them promising …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 01–25 Read article
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Bioactive Compounds in Ethanolic Extract of Strychnos innocua Root Using Gas Chromatography and Mass Spectrometry (GC-MS)
Abstract: Medicinal plants are of great relevance with endless pharmaceutical and therapeutic properties. They are source of wide array of secondary metabolites or bioactive compounds/phytochemicals (phenols, alkaloids, flavonoids, terpenoids, tannins, steroids and saponins) which can discharge numerous biological functions (antimicrobial, antioxidant, antiviral, antifungal, anti-fibrotic, immune-modulatory, cytotoxic, antipyretic, antitumor, antihelminthic, antiprotozoal, antibacterial, and so on). The use of gas chromatography and mass spectrometry analysis in identifying the bioactive compounds in the ethanolic …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 1, 2023 · pp. 9–14 Read article
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Photochemical Insights into Light: Responsive Heterocyclic Compounds
Abstract: eterocyclic compounds are significant in a wide range of chemical fields. They are crucial components of the structural makeup of bioactive substances. Such compounds can be conveniently transformed through photochemical processes. Chemical reagents are rarely utilized. It is possible for members of one compound family to change into members of another. There is discussion of three key categories of photochemical rearrangements involving heterocyclic compounds: Photochemical reactions involving hydrogen atom transfer …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 1, Issue 2, 2023 · pp. 01–07 Read article
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Optimization Of Solar Drying Parameters for Turmeric and Papaya Leaves: Effects on Nutritional and Bioactive Compound Retention
Abstract: This study focuses on the optimization of solar drying parameters for turmeric and papaya leaves, based on their impact on retention of nutritional and bioactive compounds. One of the most crucial postharvest procedures is solar drying as it decreases the moisture content in plant materials, thereby increasing shelf life and preserving quality. This study considers traditional methods as open sun drying (OSD) and advanced solar dry techniques, including Hybrid Indirect …
Published in International Journal of Electrical Power and Machine Systems · Vol. 3, Issue 1, 2025 · pp. 29–37 Read article
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Multi-Target Molecular Docking of Anantmul (Hemidesmus indicus) Compounds for Tay-Sachs Disease Treatment
Abstract: This research aimed to study the effects of the plant Anantmul (Hemidesmus indicus) in the treatment of Tay-Sachs disease using molecular docking studies. Tay-Sachs disease is a neurodegenerative autosomal recessive disorder caused due to accumulation of the molecule GM2 ganglioside which is caused due to lack of enzyme Beta Hexosaminidase which breaks down GM2 Ganglioside. Anantmul (Hemidesmus indicus) is a an ayurvedic plant used in the Indian subcontinent that has …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 2, 2024 · pp. 61–69 Read article
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Identification of Promising Lead Compounds from Capsicum annuum Targeting BACE-1 for Alzheimer’s Disease Therapy: A Molecular Docking Study
Abstract: Background: Alzheimer's disease (AD) is a neurodegenerative disorder affecting millions of people worldwide. Beta-secretase 1 (BACE-1) is an important therapeutic target for AD treatment. Capsicum annuum (CA) is a commonly consumed plant with potential neuroprotective properties. In this study, we aimed to identify potential lead compounds from CA that can target BACE-1 for AD therapy using molecular docking. Methods: A library of 15 compounds from CA was obtained from PubChem, …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 1, 2023 · pp. 40–49 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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Targeting PTPN22 in Arthritis: Molecular Docking and Pharmacokinetic Evaluation of Artemisia vestita Compounds
Abstract: Rheumatoid arthritis (RA) is a long-term autoimmune condition characterized by inflammation of the synovial membrane, commonly resulting in swelling, pain, stiffness, and overall fatigue. Protein tyrosine phosphatase non-receptor type 22 (PTPN22) has been identified as a risk factor linked to various autoimmune diseases, including RA. In the PTPN22 gene, two missense Single nucleotide polymorphisms (SNPs) are associated with autoimmune conditions. The R620W (C1858T, rs247660) variant in exon 14 has been …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 20–31 Read article
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Exploring the Role of MAPK3 in Major Depressive Disorder: Molecular Docking, Dynamics, and Binding Free Energy Analysis of Natural Compounds as Alternatives to Conventional Drugs
Abstract: Major Depressive Disorder (MDD) is a prevalent neuropsychiatric disorder with limited treatment efficacy and significant side effects associated with conventional antidepressants. Recent studies have highlighted the role of mitogen-activated protein kinase 3 (MAPK3) in the mechanisms underlying MDD, positioning it as a potential target for the development of novel therapeutic drugs. In this study, we employed various computational approaches to explore natural compounds as viable alternatives to synthetic antidepressants. Researchers …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 53–68 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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The Mycobiome Frontier – Pre & Post 2020 Status: Integrating Fungal Bioactive Compounds, Probiotics, and Antimicrobial Peptides in Modern Therapeutics and Biotechnology.
Abstract: The fungal kingdom represents an indispensable resource in modern therapeutics and biotechnology, offering a diverse array of bioactive compounds, probiotics, and antimicrobial peptides (AMPs). Functional fungal polysaccharides (FFPs), such as beta-glucans, chitin, and mannans, are centrally involved in modulating the human gut microbiota, providing novel therapeutic avenues for chronic conditions including diabetes, neurodegenerative disorders, and cancer. These compounds act as prebiotics, nourishing beneficial bacteria and enhancing metabolic parameters such as …
Published in International Journal of Fungi · Vol. 3, Issue 1, 2026 · pp. 1–11 Read article
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Review on the Effects of Chemical Compounds Toxicity on Workers in Chemical Laboratories.
Abstract: Chemical laboratories are considered high-risk work environments due to the wide range of chemicals that workers handle, which may be toxic, corrosive, or flammable. Improper handling of these substances can lead to serious health problems, ranging from mild irritation to death in cases of exposure to chemical compounds such as phenols and amines, which cause various types of lung and laryngeal cancers and respiratory diseases in laboratory workers who are …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 2, 2026 · pp. 17–26 Read article
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Molecular Docking Study: Targeting mycobacterium leprae ML2640 Protein Using Active Compounds from Coscinium fenestratum
Abstract: Objectives: Leprosy is an infectious disease in skin, peripheral nerve and mucosa of upper airway. Around 70% of this infection is caused by Mycobacterium leprae, which was discovered during1873. Multi drug therapy is used for the treatment, still multiple drug resistance and reactions has been reported among patients. Hence, this work focused on identifying bioactive compounds from Coscinium fenestratum that can target mycobacterium leprae ML2640 protein by in-silico approach. Method: …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 21–33 Read article
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Crystallographic Studies on The Stability of Pharmaceutical Compound
Abstract: Crystallographic studies provide detailed insights into the molecular structure and intermolecular interactions within a crystal lattice, which are key determinants of a compound's stability. By analyzing crystal structures, researchers can identify potential polymorphs, solvates, and hydrates that may impact the physical and chemical stability of the drug. This knowledge helps in optimizing formulation strategies, predicting shelf life, and ensuring consistent drug performance. Advanced techniques like X-ray diffraction and neutron diffraction …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 1, 2024 · pp. 38–42 Read article
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Tinospora Sinensis Compounds for Zika Virus Targets 5JRZ and 5KVD In Silico Screening: A Potential Approach to Preventing Guillain-Barre Syndrome
Abstract: Objective: GBS is a very rare kind of disease but at the same time, it is very dangerous too. The study estimates that people who are suffering from zika virus infection are more prone to GBS. According to surveys, 1 out of 4000 people got affected by this disease, and the scariest part of this disease is that there is no cure available. In this computational era drug discovery is …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 · pp. 1–15 Read article
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Azepines, Chemistry, Synthesis and Reactions
Abstract: Azepines, which consist of a seven-membered cyclic compound featuring six carbon atoms, an additional nitrogen atom, and no double bonds between carbons, form a diverse group within organic chemistry. The fully hydrated form of this compound is called azepam (C6H13N). Compounds and their variants play crucial roles in pharmaceutical research due to their biologic attributes like cancer-fighting, bacteria-killing, fungus-busting, virus-suppressing, and inflammation-reducing capabilities. Various organic molecules found within nature draw …
Published in International Journal of Minerals · Vol. 2, Issue 2, 2025 · pp. 35–45 Read article
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The Role of Natural Products in Antiviral Drug Discovery: Insights into Mechanisms and Therapeutic Potential
Abstract: Drug discovery has always relied heavily on natural sources, especially when it comes to creating antiviral medications. This review explores the therapeutic potential of various natural products, including plant extracts, marine compounds, and microbial metabolites, in the fight against viral infections. We examine the mechanisms of action by which these natural compounds exert their antiviral effects, including direct inhibition of viral replication, modulation of host immune responses, and interference with …
Published in International Journal of Virus Studies · Vol. 1, Issue 2, 2024 · pp. 36–47 Read article
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Targeting Homogentisate Dioxygenase Dysfunction in Alkaptonuria: Investigating Curcuma longa’s Therapeutic Potential
Abstract: Objectives: Alkaptonuria is known to have a faulty gene HGO in the metabolic process. In the present research work, the focus is towards investigating the therapeutic capabilities of the Curcuma longa upon the faulty Homogentisate dioxygenase gene using ligand-protein binding, which would assist in the corrective tyrosine metabolism. Methods: This study is based on the computational approach using different phytochemicals for evaluation of the potency against the abnormal Homogentisate dioxygenase …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 2, 2024 · pp. 1–11 Read article
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Design, Synthesis, and Spectroscopic Elucidation of 3-Methyl-1-Phenylpyrazol-5-One: A Cheminformatics-Aided Approach to Heterocyclic Drug Scaffolds
Abstract: Pyrazolone, a notable heterocyclic compound, has drawn increasing interest due to its broad pharmacological profile and structural versatility. The synthesis, characterisation, and biological assessment of new pyrazolone derivatives are examined in this work. A comprehensive review of existing synthetic strategies is presented, emphasizing green and efficient methodologies. Novel derivatives were synthesized using varied starting materials and catalytic systems, followed by structural confirmation through spectroscopic analyses, including NMR, IR, and mass …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 29–40 Read article
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Grid based docking study of some 2-(4-methylsulfonyl phenyl) pyrimidine derivatives (designed after QSAR studies) with Cyclooxygenase
Abstract: Molecular docking helps in studying drug/ligand or receptor/ protein interactions by identifying the suitable active sites in protein, obtaining the best geometry of ligand-receptor complex and calculating the energy of interaction for different ligands to design more effective ligands. In Grid based docking, after unique conformers of the ligand are generated, the receptor cavity of interest is chosen and a grid is generated around the cavity. Cavity points are found …
Published in International Journal of Antibiotics · Vol. 1, Issue 1, 2024 · pp. 23–41 Read article