about
Bringing the MMFF force field to the RDKit: implementation and validationDesign and Synthesis of a γ(1)β(8)-Cyclodextrin Oligomer: A New Platform with Potential Application as a Dendrimeric Multicarrier.Mechanistic insights into cyclooxygenase irreversible inactivation by aspirin.Nitrooxyacyl derivatives of salicylic acid: aspirin-like molecules that covalently inactivate cyclooxygenase-1.Complementary three-dimensional quantitative structure-activity relationship modeling of binding affinity and functional potency: a study on alpha4beta2 nicotinic ligands.Synthesis and preliminary pharmacological characterisation of a new class of nitrogen-containing bisphosphonates (N-BPs).Novel small molecule protein arginine deiminase 4 (PAD4) inhibitors.[3-(1H-imidazol-4-yl)propyl]guanidines containing furoxan moieties: a new class of H3-antagonists endowed with NO-donor properties.Synthesis and vasodilating properties of N-alkylamide derivatives of 4-amino-3-furoxancarboxylic acid and related azo derivatives.A new class of NO-donor H3-antagonists.The role of fluorine in stabilizing the bioactive conformation of dihydroorotate dehydrogenase inhibitors.6-Cyclohexylmethoxy-5-(cyano-NNO-azoxy)pyrimidine-4-amine: a new scaffold endowed with potent CDK2 inhibitory activity.Edaravone derivatives containing NO-donor functions.Furoxan analogues of the histamine H3-receptor antagonist imoproxifan and related furazan derivatives.Structure-antioxidant activity relationships in a series of NO-donor phenols.Non-imidazole histamine NO-donor H3-antagonists.Hydroxy-1,2,5-oxadiazolyl moiety as bioisoster of the carboxy function. A computational study on gamma-aminobutyric acid (GABA) related compounds.Open3DALIGN: an open-source software aimed at unsupervised ligand alignment.Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields.Brute-force pharmacophore assessment and scoring with Open3DQSAR.COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ-ProfilesThymopentin down-regulates both activity and expression of iNOS in blood cells of Sézary syndrome patientsNew inhibitors of dihydroorotate dehydrogenase (DHODH) based on the 4-hydroxy-1,2,5-oxadiazol-3-yl (hydroxyfurazanyl) scaffold1,2,5-Oxadiazole analogues of leflunomide and related compoundsMultitarget drugs: Focus on the NO-donor hybrid drugsPhysicochemical Profiling of Sartans: A Detailed Study of Ionization Constants and Distribution CoefficientsNO-Donor COX-2 Inhibitors. New Nitrooxy-Substituted 1,5-Diarylimidazoles Endowed with COX-2 Inhibitory and Vasodilator PropertiesNO-donor melatonin derivatives: synthesis and in vitro pharmacological characterizationA 3D-QSAR-driven approach to binding mode and affinity predictionSDF2XYZ2SDF: how to exploit TINKER power in cheminformatics projectsA mechanistic hypothesis for the aspirin-induced switch in lipid mediator production by cyclooxygenase-2
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Q27902346-FCB07F05-EA83-487C-A201-329945898387Q30656491-D7F52D24-B376-4E53-A1DF-973FC93843B4Q34605613-E7CEB5C3-E86F-4148-8831-DC58EC5C17C9Q39584172-5C0BCF8B-D840-466E-B657-BBBD246B9A21Q39870413-B1269C70-A369-469D-B0FE-4A9EA1B3BDD5Q43124760-C48D8CC7-EB93-4582-BAE3-94995E81FACEQ43730478-BDE4C3A9-A92C-4635-BC8E-CB2C7177D919Q44356871-ED80E1B9-9C38-412C-A2CB-14D576C54DB4Q44588306-5F6052C8-F86A-44AA-B8FD-EBA2E3CC6A08Q44878236-E83B7F86-3D3B-4929-AF99-0E294A8B1665Q46011455-E0BF0F2C-0DAB-43F3-AF1D-B9F70120D652Q46109421-4262A04F-8E95-4789-892E-C3FA2691C952Q46180484-AFE1A128-6953-48B4-96CC-5F7CB18E1040Q46331131-39E250F8-0D81-48B4-A7BA-DCF8705A44CEQ46484015-C62DA1C8-8A71-4513-B07A-C64EED11E83DQ46519850-5A864CF6-4FCE-4F26-BE64-777FD8B4B21CQ46774106-DFFC6439-65E6-4740-BE9B-B3E913043EA7Q51544926-87216694-9981-4DB6-94F6-F98A5A080D93Q51705465-61852E09-D4D2-4869-9A48-E62B6C80B06AQ54919067-E5741864-58B0-4BEF-83A8-DABBF9F8130DQ57828980-4C63F96A-D369-4BC9-9AAA-38C0AAE79E4DQ58960698-F63DE197-2A42-411E-9645-9F3EAB22D416Q59545430-BBDDF20C-A6EA-4D65-91FF-35DD839C62DFQ59545481-1102582F-0B0A-4239-AC10-9E4745554B94Q59545630-C7006CE6-923D-4837-9566-E8FE46C4A635Q59545636-DA139004-9923-4A4F-840E-EE497CA8324FQ59545648-E987D769-6CC4-41D1-BCA5-982513DBAC92Q59545653-8A810926-DD21-4206-8A78-EFA9B982D2E2Q82525373-EA41F72E-01FD-4D14-A267-81F9FB4B4747Q84107239-B702E05D-C6CD-453B-ACA4-5514F23F28BAQ86980945-C252B110-9457-4F04-B75F-76069EAD8C91
P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Paolo Tosco
@ast
Paolo Tosco
@en
Paolo Tosco
@es
Paolo Tosco
@nl
Paolo Tosco
@sl
type
label
Paolo Tosco
@ast
Paolo Tosco
@en
Paolo Tosco
@es
Paolo Tosco
@nl
Paolo Tosco
@sl
prefLabel
Paolo Tosco
@ast
Paolo Tosco
@en
Paolo Tosco
@es
Paolo Tosco
@nl
Paolo Tosco
@sl
P106
P1153
6602417528
P21
P31
P496
0000-0002-0034-9494