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539 articles for “This compound”
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Computational Investigation of Withania somnifera Compounds Targeting S. pombe SMN YG-Dimer in Spinal Muscular Atrophy: Insights from Molecular Docking Analysis
Abstract: Objectives: The primary objective of this study is to determine the potential of phytochemical constituents of Withania somnifera in treating spinal muscular atrophy, an autosomal recessive genetic neurodegenerative disorder, through computational techniques. To investigate the binding affinity of phytocompound to the target protein S. pombe SMN YG-Dimer through molecular docking. Besides, evaluating the pharmacological attributes of phytochemical constituents to assess their ability as an ideal prospect for developing therapeutic medication. …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 39–52 Read article
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The Molecular Structure of Chemical Compounds by using Quantitative Calculations in Chemistry
Abstract: Computational chemistry has its roots in the early attempts of theoretical physicists, beginning in 1928, to solve the Schrödinger equation using mechanical calculating machines. These calculations verified that the solutions of the Schrödinger equation quantitatively reproduced experimentally observed properties of simple systems such as the helium atom and the hydrogen molecule. These approximate solutions of larger systems and exact solutions of simple model problems allowed chemists and physicists to provide …
Published in Journal of Catalyst & Catalysis · Vol. 12, Issue 2, 2025 · pp. 01–08 Read article
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Exploring the Luminescent Behavior of Dysprosium-Doped Halo-sulphate Compounds
Abstract: In essence, this study aims toward understanding the photo-luminescent properties of Dy³⁺ halogenated sulfates, viz., synthesis, characterization, and luminescent behavior of the materials. Dysprosium ions are introduced into the halo-sulfate matrices to investigate their suitability for solid-state lighting applications. The aim of the study is to explain the mechanisms of the photo luminescence of Dy³⁺ and study the influence of the doping concentration on luminescence efficiency and the thermal stability …
Published in Journal of Materials & Metallurgical Engineering · Vol. 15, Issue 3, 2025 · pp. 01–06 Read article
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Polymeric Micelles for Medicinal Plant Solubilization and Delivery of Bioactive Compounds
Abstract: This study involved the design, fabrication, and characterization of polymeric micellar nanocomposites utilizing amphiphilic block copolymers to effectively encapsulate and transport hydrophobic phytoconstituents. The selected bioactive molecule is curcumin, a polyphenol with limited water solubility. A polymeric system known as PEG-PCL was utilized to fabricate core-shell nanostructures by a solvent evaporation-induced self-assembly method. The resulting nanocomposites exhibited homogeneity and colloidal stability, characterized by a zeta potential of −18.7 ± 1.4 …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 208–219 Read article
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Formation, Characterization and Microscopic Study of Four- and Five-membered Ring
Abstract: Types of organic compounds are famous for many industrial and medical applications, including azo compounds, one of the largest groups involved in the manufacture of various organic compounds. For example, they are considered as initiators of free radicals in the polymerization reactions of alkenes used in the manufacture of plastics. Most of cyclic compounds have nano properties which make this type of compound important in organic field. It is also …
Published in OmniScience: A Multi-disciplinary Journal · Vol. 14, Issue 1, 2024 · pp. 1–15 Read article
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Targeting Vasopressin 2 Receptor (V2R) in Renal Cystogenesis by Exploring the Nephroprotective Potential of “Terminalia arjuna”
Abstract: Objectives: Autosomal dominant polycystic kidney disease (ADPKD) is the most common inherited kidney disorder, leading to the formation of multiple cysts in the kidneys. It is a major cause of end-stage renal disease (ESRD), which often requires dialysis or a kidney transplant for survival. This research focuses on identifying potential bioactive compounds derived from natural sources that show promise for drug development targeting the V2R gene. Methods: The naturally occurred …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 14–24 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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An in-silico toxicity study of the phytocompounds found in Pongamia pinnata leaves using the ProTox-II web server
Abstract: The aim of the current study was to determine the Insilco toxicity of the phytocompound present in the leaves of Pongamia pinnata. The leaves of Pongamia pinnata have long been used in traditional medicine for their therapeutic properties. Nowadays, herbal toxicity is a common problem caused by incorrect dosage. The FDA reviews the safety and effectiveness of herbal products only in response to patient or health care provider complaints—problems with …
Published in Research and Reviews : Journal of Crop science and Technology · Vol. 13, Issue 1, 2024 Read article
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Jabuticaba Skin Flour AsA Functional Food Ingredient: Phenolic Profile, Antioxidant Potential and Functional Technological Properties
Abstract: Brazilian-native fruit, jabuticaba, is a member of the Myrtaceae family that is typically consumed naturally. The jabuticaba skin flour (JSF) is rich in phenolic compounds, the most active antioxidants present in plants, being able to stop oxidative damage and reduce the risk of oxidative stress linked to different degenerative diseases, thus become interesting to the consumer. Despite all this antioxidant potential, little is known about their characterization and about the …
Published in Research & Reviews : Journal of Food Science & Technology · Vol. 13, Issue 3, 2024 · pp. 01–08 Read article
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Design, Synthesis, and in vitro Evaluation of Novel Benz/Imidazole-2-acetonitrile Derivatives as Antibacterial and Antifungal Agents
Abstract: Benzimidazole is a pharmaceutically important compound. In this research, we were able to prepare several heterocyclic derivatives from it by first preparing a new azo derivative ZH through a reaction of 3-aminoacetophenone with benzimidazole-2-acetonitrile. This azo derivative was then introduced via a condensation reaction with aromatic amine derivatives, resulting in the preparation of two Schiff base derivatives Z1 and Z2. From these bases, six and seven membered heterocyclic derivatives were …
Published in Emerging Trends in Chemical Engineering · Vol. 13, Issue 2, 2026 · pp. 53–87 Read article
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Synthesis, Characterization and Evaluation of Pyridine derivatives
Abstract: Schiff bases, a class of organic compounds, have garnered significant attention due to their diverse applications in various fields such as pharmaceuticals, materials science, and coordination chemistry. This study provides a comprehensive overview of the synthesis of Schiff bases amino pyridine derivatives and aromatic ketones along with their anti-microbial activity. Method: The synthesis of Schiff bases primarily involves the condensation reaction between a primary amine and a carbonyl compound (ketone) …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 2, 2024 · pp. 35–48 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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Marine-Derived Pharmaceuticals: Unlocking the Ocean's Potential for Human Health
Abstract: The ocean, covering 70% of the Earth’s surface, is a rich source of unique bioactive compounds with potential therapeutic applications. This review aims to highlight the significance of marine-derived pharmaceuticals in human health, focusing on clinically approved and commercially available medications. The review covers various marine-derived compounds, their structural features, modes of action, and applications in treating diseases, such as cancer, diabetes, and neurodegenerative disorders. The review identifies several marine-derived …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 12, Issue 1, 2025 · pp. 1–12 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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Construction of Chalcone–Thiadiazole Derivatives with (Spectral and Anticancer)-Study
Abstract: Most organic chemistry compounds are widely used in the manufacture of medicines and antibiotics. Due to the spread of many epidemics that develop later as a result of not using appropriate antibiotics, these infections may develop in some tissues into carcinogenic tissues. Therefore, many researchers have developed a series of pharmaceutical compounds and developed the method of their connection with cyclic compounds. A series of chalcone derivatives has been presented …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 3, 2025 · pp. 64–80 Read article
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Configuration and Properties of Group III Elements in the Periodic Table
Abstract: Group III elements comprise those found in the third column of the periodic table, including boron, aluminum, gallium, indium, and thallium. These elements possess three valence electrons in their outermost shell, characterized by the electron configuration ns2np1, which influences their location and characteristics within the periodic table. The distribution of electron pairs, formal charges, oxidation states, and molecular morphologies of Group III elements and their compounds are illustrated in this …
Published in Journal of Materials & Metallurgical Engineering · Vol. 15, Issue 2, 2025 · pp. 23–30 Read article
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Synthesis, Identification and Bio Evaluation of New Thiophene Derivatives
Abstract: Thiophene is considered one of the most effective cyclic sulfur compounds in organic and pharmaceutical chemistry due to its high stability in various chemical reactions. It plays a key role as an antifungal agent in treating skin allergies, as well as in the preparation of polymers, rubber, and other materials. Recent research has focused on incorporating sulfur compounds into the synthesis of organic compounds because of their high stability in …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 1, 2026 · pp. 31–43 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
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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