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143 results on '"Ortuso F"'

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5. Molecular modelling and enzymatic studies of acetylcholinesterase and butyrylcholinesterase recognition with paraquat and related compounds.

6. Theoretical Comparison between Structural and Dynamical Features of Dolastatins 11 and 12 Antineoplastic Depsipeptides.

7. Exploring Structural Requirements for Sigma-1 Receptor Linear Ligands: Experimental and Computational Approaches.

8. MAATrica: a measure for assessing consistency and methods in medicinal and nutraceutical chemistry papers.

9. A Dynamic and Effective Peptide-Based Strategy for Promptly Addressing Emerging SARS-CoV-2 Variants of Concern.

10. 8-Amide and 8-carbamate substitution patterns as modulators of 7-hydroxy-4-methylcoumarin's antidepressant profile: Synthesis, biological evaluation and docking studies.

11. Ferritin Heavy Chain Binds Peroxiredoxin 6 and Inhibits Cell Proliferation and Migration.

12. Design and synthesis of chromone-based monoamine oxidase B inhibitors with improved drug-like properties.

13. Structural genetics of circulating variants affecting the SARS-CoV-2 spike/human ACE2 complex.

14. Identification of SET/EED dual binders as innovative PRC2 inhibitors.

15. Chromene Derivatives as Selective TERRA G-Quadruplex RNA Binders with Antiproliferative Properties.

16. Molecular Modeling and Experimental Evaluation of Non-Chiral Components of Bergamot Essential Oil with Inhibitory Activity against Human Monoamine Oxidases.

17. Selective inhibition of carbonic anhydrase IX and XII by coumarin and psoralen derivatives.

18. Exploring New Scaffolds for the Dual Inhibition of HIV-1 RT Polymerase and Ribonuclease Associated Functions.

19. From Homology Modeling to the Hit Identification and Drug Repurposing: A Structure-Based Approach in the Discovery of Novel Potential Anti-Obesity Compounds.

20. Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7.

21. Multi-Targeting Bioactive Compounds Extracted from Essential Oils as Kinase Inhibitors.

23. Folding intermediate states of the parallel human telomeric G-quadruplex DNA explored using Well-Tempered Metadynamics.

24. New Dihydrothiazole Benzensulfonamides: Looking for Selectivity toward Carbonic Anhydrase Isoforms I, II, IX, and XII.

25. BOPC1 Enantiomers Preparation and HuR Interaction Study. From Molecular Modeling to a Curious DEEP-STD NMR Application.

26. Mediterranean products as promising source of multi-target agents in the treatment of metabolic syndrome.

27. Molecular modelling of epitopes recognized by neoplastic B lymphocytes in Chronic Lymphocytic Leukemia.

28. Review about the multi-target profile of resveratrol and its implication in the SGK1 inhibition.

29. Exploring new structural features of the 4-[(3-methyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzenesulphonamide scaffold for the inhibition of human carbonic anhydrases.

30. 4-(3-Nitrophenyl)thiazol-2-ylhydrazone derivatives as antioxidants and selective hMAO-B inhibitors: synthesis, biological activity and computational analysis.

31. Benzo[ b ]tiophen-3-ol derivatives as effective inhibitors of human monoamine oxidase: design, synthesis, and biological activity.

32. A computer-assisted discovery of novel potential anti-obesity compounds as selective carbonic anhydrase VA inhibitors.

33. The Mediterranean Diet as source of bioactive compounds with multi-targeting anti-cancer profile.

34. Benzoic acid-derived nitrones: A new class of potential acetylcholinesterase inhibitors and neuroprotective agents.

35. Novel natural non-nucleoside inhibitors of HIV-1 reverse transcriptase identified by shape- and structure-based virtual screening techniques.

36. Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors.

37. Tuning the Dual Inhibition of Carbonic Anhydrase and Cyclooxygenase by Dihydrothiazole Benzensulfonamides.

38. In Silico Identification of Piperidinyl-amine Derivatives as Novel Dual Binders of Oncogene c-myc/c-Kit G-quadruplexes.

40. Targeting Tumor Associated Carbonic Anhydrases IX and XII: Highly Isozyme Selective Coumarin and Psoralen Inhibitors.

41. The Mu.Ta.Lig. Chemotheca: A Community-Populated Molecular Database for Multi-Target Ligands Identification and Compound-Repurposing.

42. Design, synthesis and biochemical evaluation of novel multi-target inhibitors as potential anti-Parkinson agents.

43. Molecular recognition of a carboxy pyridostatin toward G-quadruplex structures: Why does it prefer RNA?

44. Chemoinformatic Database Building and in Silico Hit-Identification of Potential Multi-Targeting Bioactive Compounds Extracted from Mushroom Species.

45. Coumarin versus Chromone Monoamine Oxidase B Inhibitors: Quo Vadis?

46. Identification of G-quadruplex DNA/RNA binders: Structure-based virtual screening and biophysical characterization.

47. Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations.

48. A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G-quadruplex DNA c-myc and bcl-2 Sequences.

49. Hit Identification of a Novel Dual Binder for h-telo/c-myc G-Quadruplex by a Combination of Pharmacophore Structure-Based Virtual Screening and Docking Refinement.

50. (E)-3-Heteroarylidenechroman-4-ones as potent and selective monoamine oxidase-B inhibitors.

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