| Nome |
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Design and synthesis of novel compounds as fatty acids binding protein inhibitors and as gallium-68 chelators for positron emission tomography, file 033f3013-b684-4d9b-ad7f-c1fe6f07ccf2
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426
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Morphing of ibogaine: A successful attempt into the search for sigma-2 receptor ligands, file dfe4d229-8912-bb0a-e053-d805fe0a78d9
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100
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A structure-and ligand-based virtual screening of a database of “small” marine natural products for the identification of “blue” sigma-2 receptor ligands, file dfe4d22c-f857-bb0a-e053-d805fe0a78d9
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33
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Sigma-2 receptor ligands QSAR model dataset, file dfe4d227-df3b-bb0a-e053-d805fe0a78d9
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24
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Intramolecular oxidative palladium-catalyzed diamination reactions of alkenyl sulfamates: an efficient synthesis of [1,2,5]thiadiazolo-fused piperazinones, file dfe4d22b-cbb2-bb0a-e053-d805fe0a78d9
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24
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FABP4 inhibitors 3D-QSAR model and isosteric replacement of BMS309403 datasets, file dfe4d22b-37be-bb0a-e053-d805fe0a78d9
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23
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Physicochemical characterization and antioxidant activity evaluation of idebenone/hydroxypropyl-β-cyclodextrin inclusion complex, file dfe4d22a-f9f3-bb0a-e053-d805fe0a78d9
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19
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A pseudouridine isoxazolidinyl nucleoside analogue structural analysis: A morphological approach, file dfe4d229-94e2-bb0a-e053-d805fe0a78d9
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18
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Structure-based approach for the prediction of mu-opioid binding affinity of unclassified designer fentanyl-like molecules, file dfe4d22a-f9fc-bb0a-e053-d805fe0a78d9
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13
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Computational tools in the discovery of FABP4 ligands: A statistical and molecular modeling approach, file dfe4d22b-103c-bb0a-e053-d805fe0a78d9
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12
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Novel structural insight into inhibitors of heme oxygenase-1 (ho-1) by new imidazole-based compounds: Biochemical and in vitro anticancer activity evaluation, file dfe4d228-fcaa-bb0a-e053-d805fe0a78d9
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11
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Novel Tyrosine Kinase Inhibitors to Target Chronic Myeloid Leukemia, file 063124c7-5567-4085-b223-1475db6dcb7b
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10
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Targeting the SARS-CoV-2 HR1 with Small Molecules as Inhibitors of the Fusion Process, file c64d60d6-9848-42d2-8b71-5d649a63d477
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10
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1,2-Dibenzoylhydrazine as a Multi-Inhibitor Compound: A Morphological and Docking Study, file a68ee3a3-4fa0-4e85-bccf-ce8a027170f5
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9
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Green efficient one‐pot synthesis and separation of nitrones in water assisted by a self‐assembled nanoreactor, file dfe4d22e-cd07-bb0a-e053-d805fe0a78d9
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8
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Discovery of Novel Acetamide-Based Heme Oxygenase-1 Inhibitors with Potent in Vitro Antiproliferative Activity, file e783310a-abb7-48b9-80da-e4114feef75c
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8
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Carbamoyl-Decorated Cyclodextrins for Carbon Dioxide Adsorption, file 28338635-15a2-4987-8071-0747c3b1164f
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6
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Heparan Sulfate and Enoxaparin Interact at the Interface of the Spike Protein of HCoV-229E but Not with HCoV-OC43, file 41e509a0-50db-4242-82c5-948ff6a58f77
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6
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An integrated pharmacophore/docking/3D-QSAR approach to screening a large library of products in search of future botulinum neurotoxin a inhibitors, file b4dbf92f-9781-44a5-b8fe-869de2661b7a
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6
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Fourfold filtered statistical/computational approach for the identification of imidazole compounds as HO-1 inhibitors from natural products, file dfe4d229-932b-bb0a-e053-d805fe0a78d9
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6
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Repurposing of FDA-Approved Drugs for Treating Iatrogenic Botulism: A Paired 3D-QSAR/Docking Approach†, file dfe4d22a-afe5-bb0a-e053-d805fe0a78d9
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6
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Functionalization of single and multi-walled carbon nanotubes with polypropylene glycol decorated pyrrole for the development of doxorubicin nano-conveyors for cancer drug delivery, file dfe4d22b-f8b1-bb0a-e053-d805fe0a78d9
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6
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New arylethanolimidazole derivatives as HO-1 inhibitors with cytotoxicity against MCF-7 breast cancer cells, file dfe4d22b-f8b7-bb0a-e053-d805fe0a78d9
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6
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An Overview of PDE4 Inhibitors in Clinical Trials: 2010 to Early 2022, file e46d4131-b422-40a6-9ca6-5956cb2638bf
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6
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Optimization of 4-amino-pyridazin-3(2H)-one as a valid core scaffold for FABP4 inhibitors, file a721fc90-54aa-49ea-90a2-193168328089
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5
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Steered Molecular Dynamics Simulations Study on FABP4 Inhibitors, file f1a3e170-9b12-4cbd-bc36-b918c2ab6fc1
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5
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Ligand Growing Experiments Suggested 4-amino and 4-ureido pyridazin-3(2H)-one as Novel Scaffold for FABP4 Inhibition, file f3f5f3e6-88ea-4551-a732-dc4d9f6fe85a
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5
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From far west to east: Joining the molecular architecture of imidazole-like ligands in ho-1 complexes, file 79e48c59-2b5a-4dd0-adfd-6d0b37b47592
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4
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Artificial Intelligence Technologies for COVID-19 De Novo Drug Design, file c0517e67-9e68-4749-9edc-2c8cd9f525d5
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4
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CO2-derived non-isocyanate polyurethanes (NIPUs) and their potential applications, file dea084d5-7513-474f-b969-33ee1f3bc722
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4
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Discovery of high-affinity cannabinoid receptors ligands through a 3D-QSAR ushered by scaffold-hopping analysis, file dfe4d22a-a46f-bb0a-e053-d805fe0a78d9
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4
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A Rare Natural Benzo[k,l]xanthene as a Turn-Off Fluorescent Sensor for Cu2+ Ion, file dfe4d22d-a63b-bb0a-e053-d805fe0a78d9
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4
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Portable Nanocomposite System for Wound Healing in Space, file e1800c9b-4d9f-4009-99ea-e5ef59d2963f
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4
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Computer-Assisted Design of Peptide-Based Radiotracers, file 3c3e2920-01ac-47db-8b7f-cc6f8496a14d
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3
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Total Bio-Based Material for Drug Delivery and Iron Chelation to Fight Cancer through Antimicrobial Activity, file c8690922-2212-4f0d-a5f0-5dfd3c490c12
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3
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HEMA-based macro and microporous materials for CO2 capture, file cb022714-d49c-4c16-953c-93b1654b4515
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3
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Development of new HO-1 inhibitors by a thorough scaffold-hopping analysis, file dfe4d229-5824-bb0a-e053-d805fe0a78d9
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3
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Targeting heme Oxygenase-1 with hybrid compounds to overcome Imatinib resistance in chronic myeloid leukemia cell lines, file dfe4d229-5b0e-bb0a-e053-d805fe0a78d9
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3
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Synthesis, in vitro and in silico studies of HO-1 inducers and lung antifibrotic agents, file dfe4d22b-b25d-bb0a-e053-d805fe0a78d9
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3
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How can artificial intelligence be utilized for de novo drug design against COVID-19 (SARS-CoV-2)?, file 2f34f8c4-d71d-49eb-b261-5a91f5de4b5e
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2
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Benzodiazepine Boom: Tracking Etizolam, Pyrazolam, and Flubromazepam from Pre-UK Psychoactive Act 2016 to Present Using Analytical and Social Listening Techniques, file 70604821-5188-4672-b8e2-aee8c4eb3f23
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2
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Adipocyte fatty acid binding protein 4 (FABP4) inhibitors. A comprehensive systematic review, file dfe4d228-68cb-bb0a-e053-d805fe0a78d9
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2
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Development of a Sigma-2 Receptor affinity filter through a Monte Carlo based QSAR analysis, file dfe4d228-8510-bb0a-e053-d805fe0a78d9
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2
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Synthesis and evaluation of haloperidol metabolite II prodrugs as anticancer agents, file dfe4d228-8512-bb0a-e053-d805fe0a78d9
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2
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Potholing of the hydrophobic heme oxygenase-1 western region for the search of potent and selective imidazole-based inhibitors, file dfe4d229-0a66-bb0a-e053-d805fe0a78d9
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2
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Progress in the development of selective heme oxygenase-1 inhibitors and their potential therapeutic application, file dfe4d229-892f-bb0a-e053-d805fe0a78d9
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2
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Development of NO-releasing sigma receptor hybrids as anticancer agents, file dfe4d229-c844-bb0a-e053-d805fe0a78d9
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2
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Cucurbit[7]uril as a catalytic nanoreactor for one-pot synthesis of isoxazolidines in water, file dfe4d22a-3267-bb0a-e053-d805fe0a78d9
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2
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Chromatograpic resolution of phenylethanolic-azole racemic compounds highlighted stereoselective inhibition of heme oxygenase-1 by (R)-enantiomers, file dfe4d22a-8975-bb0a-e053-d805fe0a78d9
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2
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Growing the molecular architecture of imidazole-like ligands in HO-1 complexes, file dfe4d22e-7c94-bb0a-e053-d805fe0a78d9
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2
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SYNTHESIS OF CHLOROGENIC ACID AMIDES ASANTI-HYPERGLYCEMIC AGENTS, file b4240b31-beed-4be8-aeb6-54b20fb6be09
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1
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Supramolecular biomaterials as drug nanocontainers with iron depletion properties for antimicrobial applications, file b9c29b71-480b-455e-a751-21d917cf6fae
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1
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Synthesis and in vitro evaluation of chlorogenic acid amides as potential hypoglycemic agents and their synergistic effect with acarbose, file bd94b63f-c7ce-4383-a7a9-559b189b2c88
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1
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Hyphenated 3D-QSAR statistical model-scaffold hopping analysis for the identification of potentially potent and selective sigma-2 receptor ligands, file dfe4d228-7eb4-bb0a-e053-d805fe0a78d9
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1
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DNA intercalators based on (1,10-phenanthrolin-2-yl)isoxazolidin-5-yl core with better growth inhibition and selectivity than cisplatin upon head and neck squamous cells carcinoma, file dfe4d228-8067-bb0a-e053-d805fe0a78d9
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1
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Novel Sigma-1 receptor antagonists: From opioids to small molecules: What is new?, file dfe4d228-bf4f-bb0a-e053-d805fe0a78d9
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1
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Potholing of the hydrophobic heme oxygenase-1 western region for the search of potent and selective imidazole-based inhibitors, file dfe4d228-bf52-bb0a-e053-d805fe0a78d9
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1
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The hexameric resorcinarene capsule as an artificial enzyme: Ruling the regio and stereochemistry of a 1,3-dipolar cycloaddition between nitrones and unsaturated aldehydes, file dfe4d228-ddaa-bb0a-e053-d805fe0a78d9
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1
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Identification of Potentially Potent Heme Oxygenase 1 Inhibitors through 3D-QSAR Coupled to Scaffold-Hopping Analysis, file dfe4d229-0d66-bb0a-e053-d805fe0a78d9
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1
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La modellistica molecolare applicata ai recettori Sigma-1 e Sigma-2: un excursus, file dfe4d229-8ef9-bb0a-e053-d805fe0a78d9
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1
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Synthesis of Rosmarinic Acid Amides as Antioxidative and Hypoglycemic Agents, file dfe4d22a-74d4-bb0a-e053-d805fe0a78d9
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1
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Synergic Interplay Between Halogen Bonding and Hydrogen Bonding in the Activation of a Neutral Substrate in a Nanoconfined Space, file dfe4d22a-97de-bb0a-e053-d805fe0a78d9
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1
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γ-Cyclodextrin as a Catalyst for the Synthesis of 2-Methyl-3,5-diarylisoxazolidines in Water, file dfe4d22a-ed42-bb0a-e053-d805fe0a78d9
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1
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[1]Benzothieno[3,2-d]pyrimidine derivatives as ligands for the serotonergic 5-HT7 receptor, file dfe4d22a-f8d0-bb0a-e053-d805fe0a78d9
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1
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Supramolecular host-guest interactions of pseudoginsenoside F11 with β- and γ-cyclodextrin: Spectroscopic/spectrometric and computational studies, file dfe4d22a-f9f2-bb0a-e053-d805fe0a78d9
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1
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3D-QSAR assisted identification of FABP4 inhibitors: An effective scaffold hopping analysis/QSAR evaluation, file dfe4d22a-f9f4-bb0a-e053-d805fe0a78d9
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1
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Metyrapone-β-cyclodextrin supramolecular interactions inferred by complementary spectroscopic/spectrometric and computational studies, file dfe4d22b-37bf-bb0a-e053-d805fe0a78d9
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1
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The Search for Potent, Small-Molecule HDACIs in Cancer Treatment: A Decade After Vorinostat, file dfe4d22b-41d8-bb0a-e053-d805fe0a78d9
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1
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Mild Friedel–Crafts Reactions inside a Hexameric Resorcinarene Capsule: C−Cl Bond Activation through Hydrogen Bonding to Bridging Water Molecules, file dfe4d22b-fed8-bb0a-e053-d805fe0a78d9
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1
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A hexameric resorcinarene capsule as a hydrogen bonding catalyst in the conjugate addition of pyrroles and indoles to nitroalkenes, file dfe4d22c-06ba-bb0a-e053-d805fe0a78d9
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1
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Identification of a potent heme oxygenase-2 (HO-2) inhibitor by targeting the secondary hydrophobic pocket of the HO-2 western region, file dfe4d22d-b759-bb0a-e053-d805fe0a78d9
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1
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Ammidi dell’acido rosmarinico come potenziali agenti antidiabetici, file dfe4d22d-c513-bb0a-e053-d805fe0a78d9
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1
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Molecular modeling studies of pseudouridine isoxazolidinyl nucleoside analogues as potential inhibitors of the pseudouridine 5'-monophosphate glycosidase, file f5dd0bc7-a8b2-433d-9b93-9f9717e1fcd8
|
1
|
| Totale |
898 |