182 results on '"Gambacorta, Nicola"'
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2. Making sense of chemical space network shows signs of criticality
3. Exploring the 1,3-benzoxazine chemotype for cannabinoid receptor 2 as a promising anti-cancer therapeutic
4. Machine learning resources for drug design
5. Contributors
6. Integrated experimental and theoretical approaches to investigate the molecular mechanisms of the enantioseparation of chiral anticonvulsant and antifungal compounds
7. Informed Use of 3D-QSAR for the Rational Design of Coumarin Derivatives as Potent and Selective MAO B Inhibitors
8. Virtual Reverse Screening Approach to Target Type 2 Cannabinoid Receptor
9. Praseodymium trivalent ion is an effective inhibitor of mitochondrial basic amino acids and carnitine/acylcarnitine carriers
10. Modulatory Effect of Nicotinamide Adenine Dinucleotide Phosphate (NADPH) on the 2-Oxoglutarate Mitochondrial Carrier.
11. Aldoxime- and hydroxy-functionalized chalcones as highly potent and selective monoamine oxidase-B inhibitors
12. From deep learning to the discovery of promising VEGFR‐2 inhibitors
13. Synthesis, structure-activity relationships and molecular docking studies of phenyldiazenyl sulfonamides as aromatase inhibitors
14. Piperazine-substituted chalcones: a new class of MAO-B, AChE, and BACE-1 inhibitors for the treatment of neurological disorders
15. Design, synthesis and biological evaluation of imidazole and triazole-based carbamates as novel aromatase inhibitors
16. MzDOCK: A free ready‐to‐use GUI‐based pipeline for molecular docking simulations.
17. Chalcones with N‐Methylpiperazine Moiety: Synthesis, Monoamine Oxidase Inhibition, Neuroprotective Effect and Computer Simulation Study
18. Small Molecules for the Treatment of Long-COVID-Related Vascular Damage and Abnormal Blood Clotting: A Patent-Based Appraisal
19. Novel Dual-Acting Hybrids Targeting Type‑2 Cannabinoid Receptors and Cholinesterase Activity Show Neuroprotective Effects In Vitro and Amelioration of Cognitive Impairment In Vivo.
20. TISBE: A Public Web Platform for the Consensus-Based Explainable Prediction of Developmental Toxicity.
21. Recent Advances on Type-2 Cannabinoid (CB2) Receptor Agonists and their Therapeutic Potential
22. New Insights Regarding Hemin Inhibition of the Purified Rat Brain 2-Oxoglutarate Carrier and Relationships with Mitochondrial Dysfunction
23. TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity
24. Chapter 26 - Machine learning resources for drug design
25. Development of Halogenated-Chalcones Bearing with Dimethoxy Phenyl Head as Monoamine Oxidase-B Inhibitors
26. Assessing the Role of a Malonamide Linker in the Design of Potent Dual Inhibitors of Factor Xa and Cholinesterases
27. Trimethoxy Crown Chalcones as Multifunctional Class of Monoamine Oxidase Enzyme Inhibitors
28. Development of a Novel Class of Pyridazinone Derivatives as Selective MAO-B Inhibitors
29. PLATO: A Predictive Drug Discovery Web Platform for Efficient Target Fishing and Bioactivity Profiling of Small Molecules
30. Rational Discovery of Antiviral Whey Protein-Derived Small Peptides Targeting the SARS-CoV-2 Main Protease
31. TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity.
32. Halogenated Coumarin–Chalcones as Multifunctional Monoamine Oxidase-B and Butyrylcholinesterase Inhibitors
33. Selected Class of Enamides Bearing Nitro Functionality as Dual-Acting with Highly Selective Monoamine Oxidase-B and BACE1 Inhibitors
34. Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach
35. Design, Synthesis and Biological Evaluation of Aromatase Inhibitors Based on Sulfonates and Sulfonamides of Resveratrol
36. Synthesis and biological evaluation of 3,5‐diaryl‐pyrazole derivatives as potential antiprostate cancer agents
37. First-in-Class Isonipecotamide-Based Thrombin and Cholinesterase Dual Inhibitors with Potential for Alzheimer Disease
38. The Interaction of Hemin, a Porphyrin Derivative, with the Purified Rat Brain 2-Oxoglutarate Carrier
39. Design, synthesis and biological evaluation of 3,5-diaryl isoxazole derivatives as potential anticancer agents
40. Synthesis of N′-(4-/3-/2-/Non-substituted benzylidene)-4-[(4-methylphenyl)sulfonyloxy] Benzohydrazides and Evaluation of Their Inhibitory Activities against Monoamine Oxidases and β-Secretase
41. Trimethoxylated Halogenated Chalcones as Dual Inhibitors of MAO-B and BACE-1 for the Treatment of Neurodegenerative Disorders
42. Second sialic acid binding site of the Neuraminidase N1 of the 1918 pandemic influenza virus: An MD simulation investigation
43. Piperazine-Substituted Chalcones: A New Class of MAO-B, AChE, and BACE-1 Inhibitors for the Treatment of Neurologic Al Disorders
44. MD simulation of the interaction between sialoglycans and the second sialic acid binding site of influenza A virus N1 neuraminidase
45. Away from Flatness: Unprecedented Nitrogen-Bridged Cyclopenta[a]indene Derivatives as Novel Anti-Alzheimer Multitarget Agents
46. Morpholine-based chalcones as dual-acting monoamine oxidase-B and acetylcholinesterase inhibitors: synthesis and biochemical investigations
47. Pharmacophore Modeling and 3D-QSAR Study of Indole and Isatin Derivatives as Antiamyloidogenic Agents Targeting Alzheimer’s Disease
48. Design, Synthesis, and Biological Evaluation of Pyridazinones Containing the (2-Fluorophenyl) Piperazine Moiety as Selective MAO-B Inhibitors
49. Selected 1,3‐Benzodioxine‐Containing Chalcones as Multipotent Oxidase and Acetylcholinesterase Inhibitors
50. (Hetero-)(arylidene)arylhydrazides as Multitarget-Directed Monoamine Oxidase Inhibitors
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