Works matching IS 13811991 AND DT 2023 AND VI 27 AND IP 5
Results: 26
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate in the smiles rearrangement reaction: straightforward synthesis of amino acid derived quinolin-2(1H)-one enamines.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2345, doi. 10.1007/s11030-022-10560-z
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Machine learning prediction of empirical polarity using SMILES encoding of organic solvents.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2331, doi. 10.1007/s11030-022-10559-6
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Identification of small molecules as potential inhibitors of interleukin 6: a multi-computational investigation.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2315, doi. 10.1007/s11030-022-10558-7
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Virtual screening for potential discoidin domain receptor 1 (DDR1) inhibitors based on structural assessment.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2297, doi. 10.1007/s11030-022-10557-8
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Screening the possible anti-cancer constituents of Hibiscus rosa-sinensis flower to address mammalian target of rapamycin: an in silico molecular docking, HYDE scoring, dynamic studies, and pharmacokinetic prediction.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2273, doi. 10.1007/s11030-022-10556-9
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Can machine learning 'transform' peptides/peptidomimetics into small molecules? A case study with ghrelin receptor ligands.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2239, doi. 10.1007/s11030-022-10555-w
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Structure-based drug design of potential inhibitors of FBXW8, the substrate recognition component of Cullin-RING ligase 7.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2257, doi. 10.1007/s11030-022-10554-x
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Pharmacophore modeling, molecular docking, and molecular dynamics studies to identify new 5-HT<sub>2A</sub>R antagonists with the potential for design of new atypical antipsychotics.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2217, doi. 10.1007/s11030-022-10553-y
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2,4-Dihydroxycinnamic acid as spike ACE2 inhibitor and apigenin as RdRp inhibitor in Nimbamritadi Panchatiktam Kashayam against COVID-19: an in silico and in vitro approach.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2353, doi. 10.1007/s11030-022-10552-z
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Novel 1,2,4-triazoles derived from Ibuprofen: synthesis and in vitro evaluation of their mPGES-1 inhibitory and antiproliferative activity.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2185, doi. 10.1007/s11030-022-10551-0
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In silico identification of potential inhibitors of vital monkeypox virus proteins from FDA approved drugs.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2169, doi. 10.1007/s11030-022-10550-1
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Enantiopure β-isocyano-boronic esters: synthesis and exploitation in isocyanide-based multicomponent reactions.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2161, doi. 10.1007/s11030-022-10549-8
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Synthesis of new 3-acetyl-1,3,4-oxadiazolines combined with pyrimidines as antileishmanial and antiviral agents.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2147, doi. 10.1007/s11030-022-10548-9
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Synthesis, antiproliferative activity, and molecular modeling of novel 4-methylcoumarin derivatives and/or nitric oxide donor hybrids.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2133, doi. 10.1007/s11030-022-10547-w
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In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET profiling.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2111, doi. 10.1007/s11030-022-10546-x
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Computational biophysics approach towards the discovery of multi-kinase blockers for the management of MAPK pathway dysregulation.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2093, doi. 10.1007/s11030-022-10545-y
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Application of phenacyl bromide analogs as a versatile organic intermediate for the synthesis of heterocyclic compounds via multicomponent reactions.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2399, doi. 10.1007/s11030-022-10544-z
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Isoxazole carboxylic acid methyl ester-based urea and thiourea derivatives as promising antitubercular agents.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2037, doi. 10.1007/s11030-022-10543-0
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Gold-catalyzed carbocyclization and imidization of alkyne-tethered diazo compounds with nitrosoarenes for the synthesis of nitrones and naphthalene derivatives.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 1971, doi. 10.1007/s11030-022-10530-5
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Identification of phytochemical as a dual inhibitor of PI3K and mTOR: a structure-based computational approach.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2015, doi. 10.1007/s11030-022-10541-2
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Pharmacophore-based virtual screening of ZINC database, molecular modeling and designing new derivatives as potential HDAC6 inhibitors.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2053, doi. 10.1007/s11030-022-10540-3
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A consecutive synthesis of spiro[cyclopenta[b]pyrrole-5,2′-indene] derivatives via spirocyclization/annulation reactions.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2001, doi. 10.1007/s11030-022-10535-0
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Droperidol as a potential inhibitor of acyl-homoserine lactone synthase from A. baumannii: insights from virtual screening, MD simulations and MM/PBSA calculations.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 1979, doi. 10.1007/s11030-022-10533-2
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Synthesis, characterization and evaluation of prenylated chalcones ethers as promising antileishmanial compounds.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2073, doi. 10.1007/s11030-022-10542-1
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Application of the Ugi reaction for preparation of submicron capsules based on sugar beet pectin.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 1957, doi. 10.1007/s11030-022-10525-2
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1,3-Dipolar cycloaddition reactions of isatin-derived azomethine ylides for the synthesis of spirooxindole and indole-derived scaffolds: recent developments.
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- Molecular Diversity, 2023, v. 27, n. 5, p. 2365, doi. 10.1007/s11030-022-10510-9
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