| Nome |
# |
|
Anticancer activity of euplotin C, isolated from the marine ciliate euplotes crassus, against human melanoma cells, file e0d6c92a-ee29-fcf8-e053-d805fe0aa794
|
145
|
|
Optimization of a Benzoylpiperidine Class Identifies a Highly Potent and Selective Reversible Monoacylglycerol Lipase (MAGL) Inhibitor, file e0d6c92c-dd4e-fcf8-e053-d805fe0aa794
|
137
|
|
Novel 8-substituted coumarins that selectively inhibit human carbonic anhydrase IX and XII, file e0d6c92d-8308-fcf8-e053-d805fe0aa794
|
137
|
|
Extensive reliability evaluation of docking-based target-fishing strategies, file e0d6c92d-8300-fcf8-e053-d805fe0aa794
|
123
|
|
Development of terphenyl-2-methyloxazol-5(4H)-one derivatives as selective reversible MAGL inhibitors, file e0d6c92b-aac8-fcf8-e053-d805fe0aa794
|
121
|
|
Development of a Fingerprint-Based Scoring Function for the Prediction of the Binding Mode of Carbonic Anhydrase II Inhibitors, file e0d6c92a-fd15-fcf8-e053-d805fe0aa794
|
110
|
|
Binding investigation and preliminary optimisation of the 3-amino-1,2,4-triazin-5(2H)-one core for the development of new Fyn inhibitors, file e0d6c92b-c2af-fcf8-e053-d805fe0aa794
|
108
|
|
Computationally driven discovery of phenyl(piperazin-1-yl)methanone derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors, file e0d6c92b-fff9-fcf8-e053-d805fe0aa794
|
102
|
|
Polypharmacological profile of 1,2-dihydro-2-oxo-pyridine-3-carboxamides in the endocannabinoid system, file e0d6c92b-a6b3-fcf8-e053-d805fe0aa794
|
90
|
|
The Extra-Virgin Olive Oil Polyphenols Oleocanthal and Oleacein Counteract Inflammation-Related Gene and miRNA Expression in Adipocytes by Attenuating NF-κB Activation, file e0d6c92d-bc8c-fcf8-e053-d805fe0aa794
|
87
|
|
Drug Affinity Responsive Target Stability (DARTS) Identifies Laurifolioside as a New Clathrin Heavy Chain Modulator, file e0d6c930-7bbe-fcf8-e053-d805fe0aa794
|
87
|
|
Three-dimensional analysis of the interactions between hLDH5 and its inhibitors, file e0d6c92a-3ad3-fcf8-e053-d805fe0aa794
|
83
|
|
Identification of Lactate Dehydrogenase 5 Inhibitors using Pharmacophore- Driven Consensus Docking, file e0d6c92b-b89a-fcf8-e053-d805fe0aa794
|
81
|
|
New diterpenes from Salvia pseudorosmarinus and their activity as inhibitors of monoacylglycerol lipase (MAGL), file e0d6c92e-afb2-fcf8-e053-d805fe0aa794
|
80
|
|
Synthesis and Biological Evaluation of New Glycoconjugated LDH Inhibitors as Anticancer Agents, file e0d6c92d-d3ba-fcf8-e053-d805fe0aa794
|
76
|
|
New insight into structure-activity of furan-based salicylate synthase (MbtI) inhibitors as potential antitubercular agents, file e0d6c92d-830b-fcf8-e053-d805fe0aa794
|
75
|
|
Continued exploration of 1,2,4-oxadiazole periphery for carbonic anhydrase-targeting primary arene sulfonamides: Discovery of subnanomolar inhibitors of membrane-bound hCA IX isoform that selectively kill cancer cells in hypoxic environment, file e0d6c930-c855-fcf8-e053-d805fe0aa794
|
75
|
|
null, file e0d6c92e-e6b3-fcf8-e053-d805fe0aa794
|
74
|
|
New Chromane-Based Derivatives as Inhibitors of Mycobacterium tuberculosis Salicylate Synthase (MbtI): Preliminary Biological Evaluation and Molecular Modeling Studies, file e0d6c92b-3b6a-fcf8-e053-d805fe0aa794
|
72
|
|
Recent advances in in silico target fishing, file e0d6c931-5786-fcf8-e053-d805fe0aa794
|
64
|
|
Design, synthesis and biological evaluation of second-generation benzoylpiperidine derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors, file 51136796-044e-44c8-ab7a-b5d30eb466eb
|
59
|
|
Discovery of long-chain salicylketoxime derivatives as monoacylglycerol lipase (MAGL) inhibitors, file e0d6c92b-cc49-fcf8-e053-d805fe0aa794
|
56
|
|
Discovery and development of novel salicylate synthase (MbtI) furanic inhibitors as antitubercular agents, file e0d6c930-889d-fcf8-e053-d805fe0aa794
|
53
|
|
From Anti-infective Agents to Cancer Therapy: a Drug Repositioning Study Revealed a New Use for Nitrofuran Derivatives, file e0d6c931-f5b1-fcf8-e053-d805fe0aa794
|
50
|
|
Novel broad spectrum virucidal molecules against enveloped viruses, file e0d6c92b-c8a0-fcf8-e053-d805fe0aa794
|
46
|
|
Rhodanine derivatives as potent anti-HIV and anti-HSV microbicides, file e0d6c92b-c27b-fcf8-e053-d805fe0aa794
|
45
|
|
Shedding X-ray Light on the Role of Magnesium in the Activity of Mycobacterium tuberculosis Salicylate Synthase (MbtI) for Drug Design, file e0d6c92f-c2e5-fcf8-e053-d805fe0aa794
|
39
|
|
Mealworm (Tenebrio molitor): Potential and challenges to promote circular economy, file e0d6c931-8a27-fcf8-e053-d805fe0aa794
|
33
|
|
Synthesis and structure activity relationship investigation of triazolo[1,5-a]pyrimidines as CB2 cannabinoid receptor inverse agonists, file e0d6c930-ae19-fcf8-e053-d805fe0aa794
|
30
|
|
null, file e0d6c931-ad58-fcf8-e053-d805fe0aa794
|
29
|
|
Sirtuin 1-Activating Compounds: Discovery of a Class of Thiazole-Based Derivatives, file a973291d-5abe-497c-a2bc-74b10e1973bc
|
22
|
|
Aldose reductase differential inhibitors in green tea, file e0d6c92f-33db-fcf8-e053-d805fe0aa794
|
22
|
|
Monoacylglycerol lipase (MAGL) inhibitors based on a diphenylsulfide-benzoylpiperidine scaffold, file 3851ae4d-8ba0-4795-b087-383860fe527a
|
16
|
|
Antibacterial and ATP Synthesis Modulating Compounds from Salvia tingitana, file e0d6c92e-b38c-fcf8-e053-d805fe0aa794
|
15
|
|
Three-dimensional interactions analysis of the anticancer target c-src kinase with its inhibitors, file e0d6c930-00a2-fcf8-e053-d805fe0aa794
|
14
|
|
Carbonic Anhydrase Inhibitors: Identifying Therapeutic Cancer Agents Through Virtual Screening, file e0d6c931-8d4f-fcf8-e053-d805fe0aa794
|
9
|
|
Application of MM-PBSA methods in virtual screening, file e0d6c92e-d6f4-fcf8-e053-d805fe0aa794
|
8
|
|
Targeting GLUT1 in acute myeloid leukemia to overcome cytarabine resistance, file e0d6c931-6f14-fcf8-e053-d805fe0aa794
|
7
|
|
Discovery of monoacylglycerol lipase (MAGL) inhibitors based on a pharmacophore-guided virtual screening study, file e0d6c931-9772-fcf8-e053-d805fe0aa794
|
7
|
|
null, file e0d6c931-bac0-fcf8-e053-d805fe0aa794
|
7
|
|
Machine Learning-Based Virtual Screening for the Identification of Cdk5 Inhibitors, file 25f20b7f-1361-4f34-9273-cd7be7691cd0
|
6
|
|
Polypharmacological profile of 1,2-dihydro-2-oxo-pyridine-3-carboxamides in the endocannabinoid system, file e0d6c92b-a6b2-fcf8-e053-d805fe0aa794
|
6
|
|
Design, synthesis, docking studies and monoamine oxidase inhibition of a small library of 1-acetyl- and 1-thiocarbamoyl-3,5-diphenyl-4,5-dihydro-(1h)-pyrazoles, file e0d6c92d-72a3-fcf8-e053-d805fe0aa794
|
6
|
|
A Virtual Screening Study for Lactate Dehydrogenase 5 Inhibitors by using a Pharmacophore-Based Approach, file e0d6c927-d46e-fcf8-e053-d805fe0aa794
|
5
|
|
null, file e0d6c92d-e3ca-fcf8-e053-d805fe0aa794
|
5
|
|
Dissecting the Activity of Catechins as Incomplete Aldose Reductase Differential Inhibitors through Kinetic and Computational Approaches, file 9c52142e-a79e-4d5f-8a30-9ba543d87a67
|
4
|
|
Predicting potentially pathogenic effects of hRPE65 missense mutations: a computational strategy based on molecular dynamics simulations, file d04f4853-0840-49b6-b971-60c44476b08e
|
4
|
|
Extensive consensus docking evaluation for ligand pose prediction and virtual screening studies, file e0d6c926-4626-fcf8-e053-d805fe0aa794
|
4
|
|
Identification of new FYN kinase inhibitors using a FLAP-based approach, file e0d6c926-49e0-fcf8-e053-d805fe0aa794
|
4
|
|
Drug Affinity Responsive Target Stability (DARTS) Identifies Laurifolioside as a New Clathrin Heavy Chain Modulator, file e0d6c927-e2c6-fcf8-e053-d805fe0aa794
|
4
|
|
Identification of Lactate Dehydrogenase 5 Inhibitors using Pharmacophore- Driven Consensus Docking, file e0d6c92a-ee27-fcf8-e053-d805fe0aa794
|
4
|
|
Conformational sampling of small molecules with iCon: Performance assessment in comparison with OMEGA, file e0d6c92b-e0b8-fcf8-e053-d805fe0aa794
|
4
|
|
Discovery of novel µ-opioid receptor inverse agonist from a combinatorial library of tetrapeptides through structure-based virtual screening, file e0d6c92e-5da5-fcf8-e053-d805fe0aa794
|
4
|
|
The endocannabinoid system dual-target ligand N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluorobenzyl)-6-methyl-2-oxo-pyridine-3-carboxamide improves disease severity in a mouse model of multiple sclerosis, file e0d6c92f-5384-fcf8-e053-d805fe0aa794
|
4
|
|
New Synthetic Analogues of Natural Polyphenols as Sirtuin 1-Activating Compounds, file 8eb4dc12-3bac-4c78-8578-36550c96a8f7
|
3
|
|
Synthesis and structure activity relationship investigation of triazolo[1,5-a]pyrimidines as CB2 cannabinoid receptor inverse agonists, file e0d6c927-b189-fcf8-e053-d805fe0aa794
|
3
|
|
Identification of a new STAT3 dimerization inhibitor through a pharmacophore-based virtual screening approach, file e0d6c927-e11a-fcf8-e053-d805fe0aa794
|
3
|
|
Discovery of long-chain salicylketoxime derivatives as monoacylglycerol lipase (MAGL) inhibitors, file e0d6c92a-bd03-fcf8-e053-d805fe0aa794
|
3
|
|
New diterpenes from Salvia pseudorosmarinus and their activity as inhibitors of monoacylglycerol lipase (MAGL), file e0d6c92b-4531-fcf8-e053-d805fe0aa794
|
3
|
|
Optimization of a Benzoylpiperidine Class Identifies a Highly Potent and Selective Reversible Monoacylglycerol Lipase (MAGL) Inhibitor, file e0d6c92d-3893-fcf8-e053-d805fe0aa794
|
3
|
|
N-aryl-N’-ureido-O-sulfamates: Potent and selective inhibitors of the human Carbonic Anhydrase VII isoform with neuropathic pain relieving properties, file e0d6c92d-77f4-fcf8-e053-d805fe0aa794
|
3
|
|
An updated patent review of monoacylglycerol lipase (MAGL) inhibitors (2018-present), file e0d6c92f-7d5f-fcf8-e053-d805fe0aa794
|
3
|
|
Novel Potent and Selective Agonists of the GPR55 Receptor Based on the 3-Benzylquinolin-2(1H)-One Scaffold, file f732048b-bc13-4853-a5d8-af616861fc7b
|
3
|
|
New PIN1 inhibitors identified through a pharmacophore-driven, hierarchical consensus docking strategy, file 6edb672f-5cc4-4946-8ac9-54c37e1751b1
|
2
|
|
Development of a cheminformatics platform for selectivity analyses of carbonic anhydrase inhibitors, file d9b209bf-a614-4eda-a203-4e20013c0e29
|
2
|
|
Discovery and development of novel salicylate synthase (MbtI) furanic inhibitors as antitubercular agents, file e0d6c92b-725c-fcf8-e053-d805fe0aa794
|
2
|
|
Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site-directed mutagenesis, file e0d6c92b-9f2b-fcf8-e053-d805fe0aa794
|
2
|
|
Continued exploration of 1,2,4-oxadiazole periphery for carbonic anhydrase-targeting primary arene sulfonamides: Discovery of subnanomolar inhibitors of membrane-bound hCA IX isoform that selectively kill cancer cells in hypoxic environment, file e0d6c92c-1798-fcf8-e053-d805fe0aa794
|
2
|
|
Virtual screening identifies a PIN1 inhibitor with possible antiovarian cancer effects, file e0d6c92d-90ff-fcf8-e053-d805fe0aa794
|
2
|
|
The acyl-glucuronide metabolite of ibuprofen has analgesic and anti-inflammatory effects via the TRPA1 channel, file e0d6c92d-9102-fcf8-e053-d805fe0aa794
|
2
|
|
1,3-Dipolar Cycloaddition, HPLC Enantioseparation, and Docking Studies of Saccharin/Isoxazole and Saccharin/Isoxazoline Derivatives as Selective Carbonic Anhydrase IX and XII Inhibitors, file e0d6c92e-a3d7-fcf8-e053-d805fe0aa794
|
2
|
|
null, file e0d6c931-7bac-fcf8-e053-d805fe0aa794
|
2
|
|
null, file e0d6c931-8c29-fcf8-e053-d805fe0aa794
|
2
|
|
Identification of Human Dihydroorotate Dehydrogenase Inhibitor by a Pharmacophore-Based Virtual Screening Study, file 26d42fd4-4fb4-42bb-996b-fae7dda8fb41
|
1
|
|
Reversible Monoacylglycerol Lipase Inhibitors: Discovery of a New Class of Benzylpiperidine Derivatives, file 34aeee19-6cef-4490-99c0-dcb53f6e5287
|
1
|
|
Virtual screening and crystallographic studies reveal an unexpected γ-lactone derivative active against MptpB as a potential antitubercular agent, file ddadf08e-edb0-4210-9953-1db6e28ae937
|
1
|
|
Computational Approaches for the Identification and Optimization of Src Family Kinases Inhibitors., file e0d6c926-411d-fcf8-e053-d805fe0aa794
|
1
|
|
Application of a FLAP-Consensus Docking Mixed Strategy for the Identification of New FAAH Inhibitors, file e0d6c926-4b67-fcf8-e053-d805fe0aa794
|
1
|
|
Receptor-based virtual screening evaluation for the identification of estrogen receptor β ligands, file e0d6c926-76c2-fcf8-e053-d805fe0aa794
|
1
|
|
Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies, file e0d6c928-6e3b-fcf8-e053-d805fe0aa794
|
1
|
|
Largazole Analogues as Histone Deacetylase Inhibitors and Anticancer Agents: An Overview of Structure–Activity Relationships, file e0d6c92b-e1a8-fcf8-e053-d805fe0aa794
|
1
|
|
3D Pharmacophore Modeling Techniques in Computer-Aided Molecular Design Using LigandScout, file e0d6c92c-2bb7-fcf8-e053-d805fe0aa794
|
1
|
|
Pyridazinone-substituted benzenesulfonamides display potent inhibition of membrane-bound human carbonic anhydrase IX and promising antiproliferative activity against cancer cell lines, file e0d6c92d-8306-fcf8-e053-d805fe0aa794
|
1
|
|
L-DOPA-quinone Mediated Recovery from GIRK Channel Firing Inhibition in Dopaminergic Neurons, file e0d6c92d-834b-fcf8-e053-d805fe0aa794
|
1
|
|
Rutin as promising drug for the treatment of Parkinson’s disease: an assessment of MAO-B inhibitory potential by docking, molecular dynamics and DFT studies, file e0d6c92e-2aed-fcf8-e053-d805fe0aa794
|
1
|
|
Consensus Docking in Drug Discovery, file e0d6c92e-b815-fcf8-e053-d805fe0aa794
|
1
|
|
null, file e0d6c92e-d6f8-fcf8-e053-d805fe0aa794
|
1
|
|
null, file e0d6c931-5be3-fcf8-e053-d805fe0aa794
|
1
|
|
null, file e0d6c931-7bae-fcf8-e053-d805fe0aa794
|
1
|
|
Monoacylglycerol lipase (MAGL) Inhibitors, file e0d6c931-b86f-fcf8-e053-d805fe0aa794
|
1
|
| Totale |
2.622 |