| Nome |
# |
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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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Metabolic Characterization of Supernatants Produced by Lactobacillus spp. With in vitro Anti-Legionella Activity, file dfe4d229-b89e-bb0a-e053-d805fe0a78d9
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32
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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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32
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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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Comprehensive data on a 2D-QSAR model for Heme Oxygenase isoform 1 inhibitors, file dfe4d228-8414-bb0a-e053-d805fe0a78d9
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21
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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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20
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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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Soluble peptidoglycan fragments produced by Limosilactobacillus fermentum with antiproliferative activity are suitable for potential therapeutic development: A preliminary report, file a1777387-f85f-4d32-b8ea-7147fa599e32
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15
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Repurposing of human kinase inhibitors in neglected protozoan diseases, file dfe4d228-8263-bb0a-e053-d805fe0a78d9
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14
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Hydroxamic Acid-Based Histone Deacetylase (HDAC) inhibitors bearing a pyrazole scaffold and a cinnamoyl linker, file dfe4d22b-37c0-bb0a-e053-d805fe0a78d9
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14
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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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Carbocation catalysis in confined space: activation of trityl chloride inside the hexameric resorcinarene capsule, file 37bb6615-5548-4fd3-9985-e7d2eb62d479
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9
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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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|
S2RSLDB: A comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands, file dfe4d228-8411-bb0a-e053-d805fe0a78d9
|
9
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Sigma Receptor Ligands Carrying a Nitric Oxide Donor Nitrate Moiety: Synthesis, In Silico, and Biological Evaluation, file dfe4d22b-e2ea-bb0a-e053-d805fe0a78d9
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9
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Pseudo-dipeptide bearing α,α-difluoromethyl ketone moiety as electrophilic warhead with activity against coronaviruses, file bf975873-017c-4f12-a399-def85788c557
|
8
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Targeting of the Leishmania mexicana cysteine protease CPB2.8 Delta CTE by decorated fused benzo[b] thiophene scaffold, file dfe4d22b-d140-bb0a-e053-d805fe0a78d9
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8
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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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Novel Class of Proteasome Inhibitors: In Silico and In Vitro Evaluation of Diverse Chloro(trifluoromethyl)aziridines, file 686fea62-bbae-4908-a5d2-bf6f00c45c0a
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7
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Design, synthesis, in vitro evaluation, and molecular modeling studies of N-substituted benzomorphans, analogs of LP2, as novel MOR ligands, file c2cdfff2-b964-4334-90bc-644a48d95784
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7
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Structural determinants of resveratrol for cell proliferation inhibition potency: Experimental and docking studies of new analogs, file dfe4d227-3e2d-bb0a-e053-d805fe0a78d9
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7
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Repurposing of oxazolone chemistry: gaining access to functionalized graphene nanosheets in a top-down approach from graphite, file dfe4d227-96c9-bb0a-e053-d805fe0a78d9
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7
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|
Carbamoyl-Decorated Cyclodextrins for Carbon Dioxide Adsorption, file 28338635-15a2-4987-8071-0747c3b1164f
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6
|
|
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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|
Synthesis of phosphonated carbocyclic 2′-oxa-3′-aza- nucleosides: Novel inhibitors of reverse transcriptase, file dfe4d22a-ac66-bb0a-e053-d805fe0a78d9
|
6
|
|
Repurposing of FDA-Approved Drugs for Treating Iatrogenic Botulism: A Paired 3D-QSAR/Docking Approach†, file dfe4d22a-afe5-bb0a-e053-d805fe0a78d9
|
6
|
|
Ensemble-based ADME-Tox profiling and virtual screening for the discovery of new inhibitors of the Leishmania mexicana cysteine protease CPB2.8ΔCTE, file dfe4d22b-d13e-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
|
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
|
6
|
|
New anti sars-cov-2 targets for quinoline derivatives chloroquine and hydroxychloroquine, file dfe4d22d-9bcd-bb0a-e053-d805fe0a78d9
|
6
|
|
Unusual Calixarenes Incorporating Chromene and Benzofuran Moieties Obtained via Propargyl Claisen Rearrangement, file dfe4d22e-e568-bb0a-e053-d805fe0a78d9
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6
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|
Selective noncovalent proteasome inhibiting activity of trifluoromethyl-containing gem-quaternary aziridines, file 194ebefb-feca-447a-8c34-97817bb27393
|
5
|
|
Chemistry and Biology of Salinomycin and Its Analogues, file dfe4d22a-e97d-bb0a-e053-d805fe0a78d9
|
5
|
|
Discovery of benzimidazole-based Leishmania mexicana cysteine protease CPB2.8ΔCTE inhibitors as potential therapeutics for leishmaniasis, file dfe4d22a-efca-bb0a-e053-d805fe0a78d9
|
5
|
|
Shedding light on the chemistry and the properties of münchnone functionalized graphene, file dfe4d22e-67c9-bb0a-e053-d805fe0a78d9
|
5
|
|
Steered Molecular Dynamics Simulations Study on FABP4 Inhibitors, file f1a3e170-9b12-4cbd-bc36-b918c2ab6fc1
|
5
|
|
Sponge-like macroporous cyclodextrin-based cryogels for controlled drug delivery, file 4366d578-82f6-45db-a76d-45c876a3ee0b
|
4
|
|
From far west to east: Joining the molecular architecture of imidazole-like ligands in ho-1 complexes, file 79e48c59-2b5a-4dd0-adfd-6d0b37b47592
|
4
|
|
Artificial Intelligence Technologies for COVID-19 De Novo Drug Design, file c0517e67-9e68-4749-9edc-2c8cd9f525d5
|
4
|
|
CO2-derived non-isocyanate polyurethanes (NIPUs) and their potential applications, file dea084d5-7513-474f-b969-33ee1f3bc722
|
4
|
|
Antiangiogenic Effect of (±)-Haloperidol Metabolite II Valproate Ester [(±)-MRJF22] in Human Microvascular Retinal Endothelial Cells, file dfe4d227-1ce5-bb0a-e053-d805fe0a78d9
|
4
|
|
Heme Oxygenase Database (HemeOxDB) and QSAR Analysis of Isoform 1 Inhibitors, file dfe4d228-8ada-bb0a-e053-d805fe0a78d9
|
4
|
|
Discovery of high-affinity cannabinoid receptors ligands through a 3D-QSAR ushered by scaffold-hopping analysis, file dfe4d22a-a46f-bb0a-e053-d805fe0a78d9
|
4
|
|
Putative inhibitors of SARS-COV-2 main protease from a library of marine natural products: A virtual screening and molecular modeling study, file dfe4d22b-95e9-bb0a-e053-d805fe0a78d9
|
4
|
|
A Rare Natural Benzo[k,l]xanthene as a Turn-Off Fluorescent Sensor for Cu2+ Ion, file dfe4d22d-a63b-bb0a-e053-d805fe0a78d9
|
4
|
|
Portable Nanocomposite System for Wound Healing in Space, file e1800c9b-4d9f-4009-99ea-e5ef59d2963f
|
4
|
|
Discovery of first novel sigma/HDACi dual-ligands with a potent in vitro antiproliferative activity, file f9f8dca3-6ec7-4221-9c41-4760b5c358e4
|
4
|
|
Computer-Assisted Design of Peptide-Based Radiotracers, file 3c3e2920-01ac-47db-8b7f-cc6f8496a14d
|
3
|
|
Total Bio-Based Material for Drug Delivery and Iron Chelation to Fight Cancer through Antimicrobial Activity, file c8690922-2212-4f0d-a5f0-5dfd3c490c12
|
3
|
|
HEMA-based macro and microporous materials for CO2 capture, file cb022714-d49c-4c16-953c-93b1654b4515
|
3
|
|
Synthesis of C-4’Truncated Phosphonated Carbocyclic 2’-Oxa-3’-azanucleosides as Antiviral Agents, file dfe4d227-05d9-bb0a-e053-d805fe0a78d9
|
3
|
|
Design, Synthesis, Molecular Docking and Crystal Structure Prediction of New Azasugar Analogues of α-Glucosidase Inhibitors, file dfe4d227-1032-bb0a-e053-d805fe0a78d9
|
3
|
|
Design, Synthesis, Molecular Docking and Crystal Structure Prediction of New Azasugar Analogues of α-Glucosidase Inhibitors, file dfe4d227-1033-bb0a-e053-d805fe0a78d9
|
3
|
|
An alpha1-adrenergic receptor ligand repurposed as a
potent antiproliferative agent for head and neck
squamous cell carcinoma, file dfe4d227-2aac-bb0a-e053-d805fe0a78d9
|
3
|
|
4-Nitro-2,1,3-benzoxadiazole derivatives as potential fluorescent sigma receptor probes, file dfe4d228-75b5-bb0a-e053-d805fe0a78d9
|
3
|
|
Development of new HO-1 inhibitors by a thorough scaffold-hopping analysis, file dfe4d229-5824-bb0a-e053-d805fe0a78d9
|
3
|
|
Targeting heme Oxygenase-1 with hybrid compounds to overcome Imatinib resistance in chronic myeloid leukemia cell lines, file dfe4d229-5b0e-bb0a-e053-d805fe0a78d9
|
3
|
|
Progress in the development of more effective and safer analgesics for pain management, file dfe4d22a-f2ae-bb0a-e053-d805fe0a78d9
|
3
|
|
Structural and Molecular Insight into Piperazine and Piperidine Derivatives as Histamine H3 and Sigma-1 Receptor Antagonists with Promising Antinociceptive Properties, file dfe4d22e-c01d-bb0a-e053-d805fe0a78d9
|
3
|
|
How can artificial intelligence be utilized for de novo drug design against COVID-19 (SARS-CoV-2)?, file 2f34f8c4-d71d-49eb-b261-5a91f5de4b5e
|
2
|
|
Functional hybrid co-crystals of humic substances: a growth forecast, file dfe4d227-014e-bb0a-e053-d805fe0a78d9
|
2
|
|
Synthesis of functionalized polyhedral oligomeric silsesquioxane (POSS) macromers by microwave assisted 1,3-dipolar cycloaddition, file dfe4d227-7a8e-bb0a-e053-d805fe0a78d9
|
2
|
|
Adipocyte fatty acid binding protein 4 (FABP4) inhibitors. A comprehensive systematic review, file dfe4d228-68cb-bb0a-e053-d805fe0a78d9
|
2
|
|
Serendipitous discovery of potent human head and neck squamous cell carcinoma anti-cancer molecules: A fortunate failure of a rational molecular design, file dfe4d228-6e43-bb0a-e053-d805fe0a78d9
|
2
|
|
Development of a Sigma-2 Receptor affinity filter through a Monte Carlo based QSAR analysis, file dfe4d228-8510-bb0a-e053-d805fe0a78d9
|
2
|
|
Synthesis and evaluation of haloperidol metabolite II prodrugs as anticancer agents, file dfe4d228-8512-bb0a-e053-d805fe0a78d9
|
2
|
|
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
|
2
|
|
Progress in the development of selective heme oxygenase-1 inhibitors and their potential therapeutic application, file dfe4d229-892f-bb0a-e053-d805fe0a78d9
|
2
|
|
Gemcitabine anticancer activity enhancement by water soluble celecoxib/sulfobutyl ether-β-cyclodextrin inclusion complex, file dfe4d229-8db3-bb0a-e053-d805fe0a78d9
|
2
|
|
Cucurbit[7]uril as a catalytic nanoreactor for one-pot synthesis of isoxazolidines in water, file dfe4d22a-3267-bb0a-e053-d805fe0a78d9
|
2
|
|
Chromatograpic resolution of phenylethanolic-azole racemic compounds highlighted stereoselective inhibition of heme oxygenase-1 by (R)-enantiomers, file dfe4d22a-8975-bb0a-e053-d805fe0a78d9
|
2
|
|
Growing the molecular architecture of imidazole-like ligands in HO-1 complexes, file dfe4d22e-7c94-bb0a-e053-d805fe0a78d9
|
2
|
|
A sustainable porous composite material based on loofah-halloysite for gas adsorption and drug delivery, file 96ced547-a10f-4f2e-8bc6-2c9585482b3d
|
1
|
|
SYNTHESIS OF CHLOROGENIC ACID AMIDES ASANTI-HYPERGLYCEMIC AGENTS, file b4240b31-beed-4be8-aeb6-54b20fb6be09
|
1
|
|
Supramolecular biomaterials as drug nanocontainers with iron depletion properties for antimicrobial applications, file b9c29b71-480b-455e-a751-21d917cf6fae
|
1
|
|
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
|
1
|
|
A DFT Study on the 1,3-Dipolar Cycloaddition Reactions of C-(Hetaryl) Nitrones with Methyl Acrylate and Vinyl Acetate, file dfe4d226-f962-bb0a-e053-d805fe0a78d9
|
1
|
|
Cyclopropanation of 5-Methylene Galactopyranosides by Dihalo-, Ethoxycarbonyl-, and Unsubstituted Carbenes, file dfe4d226-f980-bb0a-e053-d805fe0a78d9
|
1
|
|
DNA Recognition with Polycyclic-Aromatic-Hydrocarbon-Presenting Calixarene Conjugates, file dfe4d226-fe8e-bb0a-e053-d805fe0a78d9
|
1
|
|
Haloperidol metabolite II prodrug: Asymmetric synthesis and biological evaluation on rat C6 glioma cells, file dfe4d226-ff14-bb0a-e053-d805fe0a78d9
|
1
|
|
Production of filmable medium-chain-length polyhydroxyalkanoates produced from glycerol
by Pseudomonas mediterranea, file dfe4d227-01aa-bb0a-e053-d805fe0a78d9
|
1
|
|
Experimental and in silico characterization of a biologically active inosose, file dfe4d227-0211-bb0a-e053-d805fe0a78d9
|
1
|
|
Biomimetic Synthesis of Natural and "Unnatural" Lignans by Oxidative Coupling of Caffeic Esters, file dfe4d227-0c97-bb0a-e053-d805fe0a78d9
|
1
|
|
Stereoselective Synthesis and Biological Evaluations of Novel 3′-Deoxy-4′-azaribonucleosides as Inhibitors of Hepatitis C Virus RNA Replication, file dfe4d227-1196-bb0a-e053-d805fe0a78d9
|
1
|
|
Phosphonated carbocyclic 2 '-Oxa-3 '-azanucleosides as new antiretroviral agents RID A-4686-2008, file dfe4d227-3803-bb0a-e053-d805fe0a78d9
|
1
|
|
Zinc(II) Triflate-Controlled 1,3-Dipolar Cycloadditions of C-(2-Thiazolyl)nitrones: Application to the Synthesis of a Novel Isoxazolidinyl Analogue of Tiazofurin, file dfe4d227-4098-bb0a-e053-d805fe0a78d9
|
1
|
|
Synthesis and Biological Activity of Isoxazolidinyl Polycyclic Aromatic Hydrocarbons: Potential DNA Intercalators, file dfe4d227-4369-bb0a-e053-d805fe0a78d9
|
1
|
|
Histone Methyltransferase Inhibitors: Novel Epigenetic Agents for Cancer Treatment, file dfe4d227-93c0-bb0a-e053-d805fe0a78d9
|
1
|
|
A DFT Rationalization for the Observed Regiochemistry in the Nitrile Oxide Cycloaddition with Anthracene and Acridine, file dfe4d227-a33a-bb0a-e053-d805fe0a78d9
|
1
|
|
Diastereoselective and Enantioselective Synthesis of 4’-Aza Analogues of 2’,3’-Dideoxynucleosides, file dfe4d227-a368-bb0a-e053-d805fe0a78d9
|
1
|
|
Prevalence of oxetanose forms in the tautomeric equilibrium of β-hydroxy-1,5-dicarbonyl monosaccharides, file dfe4d227-a62b-bb0a-e053-d805fe0a78d9
|
1
|
|
Structures and properties in different media of N,N-(diethylcarbamothioyl)furan-2-carboxamide: A ionophore for sensor membranes, file dfe4d227-acb6-bb0a-e053-d805fe0a78d9
|
1
|
| Totale |
678 |