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5 articles for “Pyrimidine derivatives”
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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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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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Lesser-Known Metabolites Influencing Ovarian Function, Follicular Development, and Embryo Viability in Dairy Cows
Abstract: The intricate processes of ovarian function, follicular development, and embryo viability in dairy cows are tightly regulated by a complex network of metabolites. While conventional biomarkers, such as steroid hormones, amino acids, and glucose metabolites, have been extensively studied, a growing body of evidence suggests that lesser-known metabolites play pivotal roles in bovine reproductive physiology. Dairy cattle fertility is critical for maintaining optimal milk production and herd sustainability, necessitating deeper …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 15, Issue 3, 2025 · pp. 18–29 Read article
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Domino Reaction for the Synthesis of Nitroolefin Heterocyclic Compound Via Thiazole Formation Followed by Claisen Rearrangement
Abstract: The Baylis-Hillman adducts derived from nitroolefins have been conveniently transformed into Claisen rearrangement. These substances, which include benzothiazole moiety, are very biologically reactive substances. This novel nitro derivative of 2-((E)-2-nitro-3-phenylallyloxy)-3-ethoxybenzaldehyde was simply treated with mole percentage of 2-(2-(2-aminophenyl) disulfanyl) benzenamine in melt reactive condition. Hence this novel 2-(benzo[d]thiazol-2-yl)-6-ethoxy-4-((E)-2-nitro-3-phenylallyl)phenol core unit compounds was very intrusting and new opportunities for the preparation of closely related to the different [3,3] sigmatropic rearrangements related …
Published in Journal of Modern Chemistry & Chemical Technology Read article
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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