about
A generalizable definition of chemical similarity for read-acrossSolid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidaseStructural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationshipsInsights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculationsScreening of matrix metalloproteinases available from the protein data bank: insights into biological functions, domain organization, and zinc binding groups.Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model.Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering.Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity.Strategies of multi-objective optimization in drug discovery and development.Inactivation of the glutamine/amino acid transporter ASCT2 by 1,2,3-dithiazoles: proteoliposomes as a tool to gain insights in the molecular mechanism of action and of antitumor activity.REACH and in silico methods: an attractive opportunity for medicinal chemists.Neuronal nicotinic acetylcholine receptor agonists: pharmacophores, evolutionary QSAR and 3D-QSAR models.Computational methods for the design of potent aromatase inhibitors.Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?Searching for Multi-Targeting Neurotherapeutics against Alzheimer's: Discovery of Potent AChE-MAO B Inhibitors through the Decoration of the 2H-Chromen-2-one Structural Motif.Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding.Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields.Potent galloyl-based selective modulators targeting multidrug resistance associated protein 1 and P-glycoprotein.Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase.8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B.ClC-1 mutations in myotonia congenita patients: insights into molecular gating mechanisms and genotype-phenotype correlation.In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.Identification of a point mutation impairing the binding between aquaporin-4 and neuromyelitis optica autoantibodies.Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors.Improving quantitative structure-activity relationships through multiobjective optimization.Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore.Cytisine derivatives as high affinity nAChR ligands: synthesis and comparative molecular field analysis.Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors.Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase.Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships.Comparative molecular dynamics study of neuromyelitis optica-immunoglobulin G binding to aquaporin-4 extracellular domains.Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitors.An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors.Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein.A rational approach to elucidate human monoamine oxidase molecular selectivity.Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases.D184E mutation in aquaporin-4 gene impairs water permeability and links to deafness.Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: The bioconcentration factor (BCF).
P50
Q27902351-C33D5AF7-CFED-42FB-8394-42381EAE3D0CQ28247140-7D62A9F2-8B5B-419B-A16F-D9EC4BCC83F1Q28255456-B4A0FAFA-DBFF-4E60-B494-835CC419FBF8Q28298080-DD1C19A6-C5A5-4EF7-B156-01CE7CAB8208Q28477370-E633F933-5CAC-4503-8545-540CA64ACB6AQ31134150-69D609B8-EDF4-4048-9461-DD1A1575AFC2Q33530648-F0F7325B-53D5-4A5E-92C4-42E4B7C1DC04Q33713209-4F5ECD6E-B3E0-4640-826B-79263000B2ADQ33850025-FFC7D06F-D6E8-478B-86CC-43688C42227DQ34286000-C1219924-BC03-4758-8C79-8F543150AFBAQ34421311-F250C715-932D-4064-AE9A-CAF669DE1A06Q34428092-F0CD7498-3AD5-48A7-8B1E-79E50A698640Q35644566-573E7F16-B605-454C-A778-8AE19BF69FA1Q38078417-02316ECF-D59B-4C06-81C5-E4AF44417287Q38190311-57347FD9-A09B-41AB-9D7A-B09693AAF5D2Q38784489-C32271C1-B6B9-4802-AA56-E5DFC18B2A20Q38968562-9E7D7E13-0758-4EDD-B73F-A659FE927143Q39021970-BB1D0E41-BF48-4AA6-B618-3F6EB67827D6Q39438136-391F302E-D03F-4C45-ABF4-311CAE2F680BQ39588076-671A403F-E82A-4D5B-B561-FB698867CF60Q40508359-D122F5AD-B9A9-4F8A-9342-E83D7D3F1F9DQ40814070-9AE11CCF-3F18-492E-8BC1-02B2890175B5Q41740512-AD599E84-FD3E-4ADD-9040-CF988D1D1538Q41818298-5C5D378A-BE35-4ED4-BBD7-CC8BB3C30C3DQ42949667-38618DB7-CB27-4678-A198-E38910A2768DQ43270292-F976CBFF-C190-405D-B7C8-24E272D6EE3DQ43844943-2CCB1280-B0D5-427F-A904-B140CC3B4D6AQ44043934-C21249B8-C6E0-405A-A622-4864E19E4C4EQ44210276-2F16067B-4691-4873-B927-EC8CC7FA0DA0Q44254522-5DDD4CD3-FA36-4639-9650-0C85F2D4A506Q45143884-964CF21F-2DA1-46EE-9202-9744CAF384DCQ46034571-01CBDC25-37A0-419B-809F-0FC8CC2DC278Q46437798-987B49D7-7A2F-4C88-B6FA-E1108F251C65Q46515087-FD1432AB-7484-4CE7-ABF6-261DC055D601Q46550563-401DF456-C8B8-4340-9EB0-646454D92446Q47869614-011564A8-E491-4742-B911-C3EB88D02E39Q47971573-32ABB8E2-4EFC-480E-9055-E4F991452719Q48111597-BD2C31C7-7FE9-401F-81E8-71B7700A9911Q48664278-4E5FC2C6-96AB-4933-8F06-3B352D7E65F8Q50971034-1A37F5CD-9720-4507-9FD9-70A9D8475EC5
P50
description
farmacoloog
@nl
hulumtues
@sq
researcher
@en
ricercatore
@it
հետազոտող
@hy
name
Orazio Nicolotti
@ast
Orazio Nicolotti
@de
Orazio Nicolotti
@en
Orazio Nicolotti
@es
Orazio Nicolotti
@nl
Orazio Nicolotti
@sl
type
label
Orazio Nicolotti
@ast
Orazio Nicolotti
@de
Orazio Nicolotti
@en
Orazio Nicolotti
@es
Orazio Nicolotti
@nl
Orazio Nicolotti
@sl
prefLabel
Orazio Nicolotti
@ast
Orazio Nicolotti
@de
Orazio Nicolotti
@en
Orazio Nicolotti
@es
Orazio Nicolotti
@nl
Orazio Nicolotti
@sl
P227
P1053
F-3209-2012
P1153
6603050960
P21
P214
35153288265032651287
P227
1165319624
P2456
P31
P4012
P496
0000-0001-6533-5539
P735
P7859
lccn-no2018095794