42 results on '"Grdadolnik, Simona Golič"'
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2. Simulation- and AI-directed optimization of 4,6-substituted 1,3,5-triazin-2(1H)-ones as inhibitors of human DNA topoisomerase IIα
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3. Exploration and optimisation of structure-activity relationships of new triazole-based C-terminal Hsp90 inhibitors towards in vivo anticancer potency
4. Nature-inspired substituted 3-(imidazol-2-yl) morpholines targeting human topoisomerase IIα: Dynophore-derived discovery
5. Phytochemical Analysis and Biological Evaluation of Carob Leaf (Ceratonia siliqua L.) Crude Extracts Using NMR and Mass Spectroscopic Techniques.
6. Discovery of new Hsp90–Cdc37 protein–protein interaction inhibitors: in silico screening and optimization of anticancer activity.
7. A novel synthetic luteinizing hormone-releasing hormone (LHRH) analogue coupled with modified β-cyclodextrin: Insight into its intramolecular interactions
8. A novel 2-oxoindolinylidene inhibitor of bacterial MurD ligase: Enzyme kinetics, protein-inhibitor binding by NMR and a molecular dynamics study
9. Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach
10. Rational design, efficient syntheses and biological evaluation of N,N′-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers
11. Conformational analysis of two novel cytotoxic C2-substituted pyrrolo[2,3-f]quinolines in aqueous media, organic solvents, membrane bilayers and at the putative active site
12. Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC–MurF): experimental and computational characterization
13. Thermal, dynamic and structural properties of drug AT1 antagonist olmesartan in lipid bilayers
14. Novel 2-thioxothiazolidin-4-one inhibitors of bacterial MurD ligase targeting d-Glu- and diphosphate-binding sites
15. Second-generation sulfonamide inhibitors of d-glutamic acid-adding enzyme: Activity optimisation with conformationally rigid analogues of d-glutamic acid
16. Intrinsic Backbone Preferences Are Fully Present in Blocked Amino Acids
17. A combined NMR and molecular dynamics simulation study to determine the conformational properties of agonists and antagonists against experimental autoimmune encephalomyelitis
18. Chiral solvating properties of ( S)-1-benzyl-6-methylpiperazine-2,5-dione
19. Biophysical characterization of an indolinone inhibitor in the ATP-binding site of DNA gyrase
20. Synthesis and study of a cyclic angiotensin II antagonist analogue reveals the role of π*–π* interactions in the C-terminal aromatic residue for agonist activity and its structure resemblance with AT 1 non-peptide antagonists
21. REVEALING THE ASTRAGALIN MODE OF ANTICANDIDAL ACTION.
22. Evaluation of the published kinase inhibitor set to identify multiple inhibitors of bacterial ATP-dependent mur ligases.
23. Discovery of (phenylureido)piperidinyl benzamides as prospective inhibitors of bacterial autolysin E from Staphylococcus aureus.
24. Stability and binding effects of silver(I) complexes at lipoxygenase-1.
25. The Binding Mode of Second-Generation Sulfonamide Inhibitors of MurD: Clues for Rational Design of Potent MurD Inhibitors.
26. Amlodipine Benzenesulfonate: A Mechanistic Investigation of Its Industrial Preparation via Detritylation of N-tritylamlodipine and Related NMR Studies.
27. In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors
28. Synthesis of ( S)-3-heteroaryl-2-hydroxy-l-propyl benzoates by 'ring switching' methodology.
29. The synthesis and transformations of 2-[2-ethoxycarbonyl-2-(2-pyridinyl)ethenyl]amino-3-dimethylaminopropenoates. the synthesis of substituted β-amino-α,β-didehydro-a-amino acid derivatives.
30. Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα.
31. Methyl and Phenylmethyl 2-Acetyl-3-{[2-(dimethylamino)-1-(methoxycarbonyl)ethenyl]amino}prop-2-enoate in the Synthesis of heterocyclic systems: Preparation of 3-amino-4 H-pyrido-[1,2- a]pyrimidin-4-ones.
32. The synthesis of methyl 2-(benzyloxycarbonyl)amino-3-dimethylaminopropenoate. The synthesis of trisubstituted pyrroles, 3-amino-2 H-pyran-2-ones, fused 2 H-pyran-2-ones and 4 H-pyridin-4-ones.
33. The synthesis of ethyl 2-[(2,2-dibenzoyl)ethenyl]amino-3-dimethyl-aminopropenoate and its application to the synthesis of fused 3-aminopyran-2-ones and 3-aminoazolo- and -azinopyrimidin-4(4 H)-ones.
34. Alkyl 2-(2-benzoyl-2-ethoxycarbonyl-1-ethenyl)amino-3-dimethylaminopropenoates in the synthesis of heterocyclic systems.
35. Vancomycin: Interactions with a model cell membrane.
36. Transformation of 5-Oxo Substituted Fused Pyran-2-ones. Lactam Versus Hydrazone Formation.
37. NMR Studies of Substituted 2,3-Diaminopropenoates.
38. Evaluation of Poorly Soluble Drugs' Dissolution Rate by Laser Scattering in Different Water Isotopologues.
39. Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains.
40. Factors Governing the Chemical Stability and NMR Parameters of Uracil Tautomers and Its 5-Halogen Derivatives.
41. Antioxidant Packaging Films Based on Ethylene Vinyl Alcohol Copolymer (EVOH) and Caffeic Acid.
42. Novel Antiproliferative Biphenyl Nicotinamide: NMR Metabolomic Study of its Effect on the MCF-7 Cell in Comparison with Cisplatin and Vinblastine.
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