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200 articles for “compound”
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An Efficient Synthesis of Some Novel Benzo Coumarin Derivatives Under Solvent Conditions from 2-acetyl-benzo[f]chromen-3-one
Abstract: The synthesis of the target compounds began with the preparation of 2-[3-dimethylamino[acryloyl-3H-benzo[f]chromen-3-one. This intermediate was obtained through the reaction of 2-acetylbenzo[f]coumarin-3-one with N,N-dimethylformamide dimethyl acetal [DMFDMA[ under reflux conditions in xylene. The enaminone thus formed was subsequently reacted with 6-aminothiouracil in acetic acid, leading to the formation of 2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one. This compound served as a pivotal intermediate for the synthesis of a series of pyridotriazolopyrimidinones. These derivatives were synthesized by reacting …
Published in International Journal of Cheminformatics · Vol. 2, Issue 2, 2024 · pp. 33–46 Read article
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Computational Analysis of Tinospora Cordifolia Phytochemicals as Potential Inhibitors of BRCA1-BRCT Domain Interaction in Breast Cancer
Abstract: Breast cancer is a leading cause of cancer-related deaths worldwide, accounting for a significant proportion of mortality rates among women. Despite current therapeutic approaches, the disease remains characterized by molecular heterogeneity, making it challenging to develop effective treatments. This study explores the potential of Tinospora cordifolia, a medicinal plant, in breast cancer therapy. Guduchi, scientifically known as Tinospora cordifolia, boasts a centuries-long history of use in traditional medicine, with a …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 27–37 Read article
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Exploring Antimalarial Activity of Chalcone Derivatives through QSAR
Abstract: Background: The core structure of chalcones contains a reactive α,β-unsaturated system within the aromatic rings, which plays a key role in mediating various biological effects. These effects include enzyme inhibition, anticancer activity, anti-inflammatory properties, as well as antibacterial, antifungal, antimalarial, antiprotozoal, and anti-filarial actions.Modifying the structure by introducing substituent groups to the aromatic ring can enhance potency, reduce toxicity, and expand their range of pharmacological actions. Methods: A total of …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 1–6 Read article
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Pharmacokinetic Profiling and Molecular Docking of Carvacrol and Structural Analogs: Targeting Quorum Sensing Proteins to Disrupt Biofilm-Mediated Antimicrobial Resistance in Multidrug-Resistant Bacterial Pathogen
Abstract: Antibiotic resistance, particularly in Pseudomonas aeruginosa, has become a major global health threat, exacerbated by the organism's ability to form biofilms and regulate virulence through quorum sensing (QS). The LuxR and LasR receptors are key regulators in this process, influencing both pathogenicity and antibiotic resistance. This study investigates potential QS inhibitors targeting these receptors as a strategy to mitigate antibiotic resistance. The primary objective was to identify novel ligands that …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 2, 2025 · pp. 43–61 Read article
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In silico analysis of Abrus precatorius L. as a potential agonist of PPARγ : A novel approach to the treatment of diabetes
Abstract: Diabetes mellitus is a chronic disorder that is characterized by a lack of insulin secretion by the pancreas or a defect in insulin action, or both. If diabetes is not controlled, over time it can cause damage to blood vessels and nerves, leading to life-threatening complications such as, kidney damage, heart disease and vision impairment. It can also weaken the immune system, making patients more prone to infection. Although treatments …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 Read article
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Activated Carbon Materials as Ideal Adsorbents for the Desulfurization of Fossil Fuels
Abstract: Removal of organosulfur compounds from diesel is of interest from scientific, social, economic, and environmental viewpoints. Production of clean fuel remains a primary goal of the petroleum refining industry. The reduction of sulfur content below stringent ppm levels in diesel fuels becomesincreasingly challenging due to the presence of sterically hindered sulfur compounds, such as 4,6- dialkyldibenzothiophenes, which are resistant to removal over conventional supported mixed sulfide hydrodesulfurization catalysts. Consequently, alternative …
Published in International Journal of Pollution: Prevention & Control · Vol. 4, Issue 1, 2026 · pp. 28–34 Read article
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A Structure-based Design Approach to Catharanthus roseus Phytoconstituents as Potential Inhibitors of B-Cell Lymphoma 6 Protein
Abstract: Objectives: Lymphoma is a cancerous disease. It develops into millions of people worldwide. Identify the naturally active compounds from Catharanthus roseus, they have multiple values in the medicinal field of Siddha, and Indian Ayurveda are used as a disease-preventing agent. Drug illness prediction, toxicity prediction, statistical information, molecular docking, as well as absorption, distribution, metabolism, and excretion (ADME) analysis are used to predict the fit ligand as a drug. Methods: …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 14–34 Read article
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A Molecular Docking Study: Targetting HIV-1 Integrase Protein Against Selected Phytocompounds from Calophyllum Lanigerum
Abstract: Objectives: The most common form of HIV that causes AIDS is HIV-1. The World Health Organization has estimated roughly 75 million plus HIV-1 infections till date and roughly 40 million deaths (as of 2021). Thus, this study was done to identify natural compounds from Calophyllum lanigerum, a medicinal plant largely endemic to South-East Asia, to inhibit the spread of this disease. It did so by using molecular docking methods, Lipinski …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 43–55 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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Unveiling the Role of Lead Molecules in CADD: A Systematic Review
Abstract: The word "medicate plan" alludes to the objective creation of modern drugs. Arbitrary screening of engineered compounds, engineered of organically dynamic compounds based on actually happening drugs, amalgamation of basic analogs of actually happening lead particles, and usage of the bioisosteric hypothesis are a few of the strategies that have been utilized. As a result, the most recent drift in medicate plan is to either completely enhance a lead or …
Published in International Journal of Membranes · Vol. 1, Issue 1, 2024 · pp. 37–43 Read article
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Exploring Glucagon-like peptide-1 as a Target Protein for Diabetes Mellitus Treatment: Molecular Docking and Pharmacokinetic Analysis of Phytocompounds from Momordica charantia
Abstract: Objective: This study aimed to use molecular docking techniques to explore the potential of GLP-1 (glucagon-like peptide-1) as a target protein for the treatment of diabetes mellitus, a chronic metabolic disease marked by elevated blood glucose levels. Given its crucial role in maintaining insulin secretion and glucose homeostasis, GLP-1 may serve as a future target for diabetes therapy. Method: The study employed a multi-phase method. Initially, protein extraction was carried …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 1, 2024 · pp. 8–20 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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Integrating Network Pharmacology and Molecular Docking to Investigate Boerhavia diffusa for Pancreatic Cancer Treatment
Abstract: Objective: In this study, network pharmacology was applied to determine the therapeutic effects of the bioactive compounds of Boerhavia diffusa. Network pharmacology can unearth the underlying mechanisms between drugs and the disease targets and aids in the discovery of novel medications for complex conditions such as cancer. Methods: To predict the molecular mechanisms of action of Boerhavia diffusa in the treatment of was screened using the GeneCards database. The Venn …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 29–49 Read article
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Chemical Composition and Antimicrobial Efficacy of Ferula persica Extracts: A Phytochemical and Bioactivity Assessment in Iraq
Abstract: The research presented in the tables focuses on analyzing the chemical content of extracts from the Ferula persica plant, a wild species in Iraq with significant medical and therapeutic importance dating back to ancient times. This study involved testing some chemical and physical properties of the alcoholic extract of the plant's aerial parts and evaluating its antimicrobial activity, specifically against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli). The …
Published in International Journal of Tropical Medicines · Vol. 2, Issue 1, 2025 · pp. 10–22 Read article
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Aquatic Ecosystems: A Review on Prospecting of Anticancer Molecules from Fungi & Other Microbes
Abstract: Marine biota; namely, actinomycetes, bacteria, fungi, microalgae, green algae, oceanic weeds, mangroves, and other extremophiles constitute about 90% of the oceanic biomass. The organisms are taxonomically diverse, biologically productive/active, and biochemically unique. These unique biochemiques may act as a great source for the discovery of new bioactive molecules, including anticancer drugs. The marines produce medicinally potent biochemicals; namely, sulfated saccharides, polyphenols, and, sterols. Only a few of these alkaloids have …
Published in International Journal of Fungi · Vol. 1, Issue 2, 2024 · pp. 1–22 Read article
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Secondary Metabolites in Drug Development: Tracing Their Historical and Therapeutic Impact
Abstract: Secondary metabolites, also known as natural products, exhibit a level of structural and chemical diversity unmatched by synthetic small molecule libraries. These compounds, which have evolved to possess drug-like properties, continue to be a primary source for new medications and drug leads. Their discovery has significantly impacted advancements in chemistry, biology, and medicine, influencing drug development and therapeutic strategies throughout history. Derived from primary metabolic pathways such as photosynthesis, glycolysis, …
Published in Emerging Trends in Metabolites · Vol. 1, Issue 2, 2024 · pp. 51–55 Read article
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Synthesis, Characterization, and Reactivity of Bivalent Tin(II) with 4-Tert-butylphenol
Abstract: Bivalent tin(II)-4-tert. butylphenoxide of composition Sn(OC6H4X-4)2(I), where X = But, has been synthesized by the reaction of stannous chloride (SnCl2) with bimolar amounts of 4-tert. butyl phenol (HOC6H4But-4) in the presence of the base, diethyl amine, in tetrahydrofuran (THF) solvent. The resulting complex was characterized by elemental analysis, molecular weight determination, molar conductance measurement, IR, and 1H NMR spectral studies. The reactivity of the newly synthesized complex (I) with HgCl2 …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 14–19 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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Revolutionizing Anti-Allergy Medications: A Comprehensive Review of Target Discovery and Medicinal Chemistry
Abstract: Above the past few decades, the prevalence of allergy illnesses has been steadily rising, impacting 20–30% of the world's population. Multiple targets are involved in allergic reactions to infections of the skin, digestive tract, and respiratory system. Developing medications with a good curative efficacy and minimal side effects while utilizing novel multi-targets and processes in accordance with the clinical features of various allergic populations and allergens is the primary challenge …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 1, 2023 · pp. 49–54 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