about
Five-membered iminocyclitol α-glucosidase inhibitors: synthetic, biological screening and in silico studies.Novel anti-plasmodial hits identified by virtual screening of the ZINC database.Probing the aurone scaffold against Plasmodium falciparum: design, synthesis and antimalarial activity.Probing the Azaaurone Scaffold against the Hepatic and Erythrocytic Stages of Malaria Parasites.Structure-based virtual screening toward the discovery of novel inhibitors of the DNA repair activity of the human apurinic/apyrimidinic endonuclease 1.Key-properties outlook of a levofloxacin-loaded acrylic bone cement with improved antibiotic delivery.3-Hydroxypyrrolidine and (3,4)-dihydroxypyrrolidine derivatives: inhibition of rat intestinal α-glucosidase.Tetraoxane-pyrimidine nitrile hybrids as dual stage antimalarials.Optimization of O3-acyl kojic acid derivatives as potent and selective human neutrophil elastase inhibitors.Unveiling the Pathogenic Molecular Mechanisms of the Most Common Variant (p.K329E) in Medium-Chain Acyl-CoA Dehydrogenase Deficiency by in Vitro and in Silico Approaches.Incorporation of basic side chains into cryptolepine scaffold: structure-antimalarial activity relationships and mechanistic studies.Characterizing the dynamics and ligand-specific interactions in the human leukocyte elastase through molecular dynamics simulations.Macrocyclic copper(II) complexes: superoxide scavenging activity, structural studies and cytotoxicity evaluation.Flavones as isosteres of 4(1H)-quinolones: discovery of ligand efficient and dual stage antimalarial lead compounds.An endoperoxide-based hybrid approach to deliver falcipain inhibitors inside malaria parasites.Design, synthesis and evaluation of 3-methylene-substituted indolinones as antimalarials.Design, synthesis and structure-activity relationships of (1H-pyridin-4-ylidene)amines as potential antimalarials.Complexation and full characterization of the tretinoin and dimethyl-β-cyclodextrin complex.N-Acyl and N-sulfonyloxazolidine-2,4-diones are pseudo-irreversible inhibitors of serine proteases.Identification of new antimalarial leads by use of virtual screening against cytochrome bc₁.Endoperoxide carbonyl falcipain 2/3 inhibitor hybrids: toward combination chemotherapy of malaria through a single chemical entity.Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study.4-Oxo-beta-lactams (azetidine-2,4-diones) are potent and selective inhibitors of human leukocyte elastase.Unanticipated acyloxymethylation of sumatriptan indole nitrogen atom and its implications in prodrug design.Azetidine-2,4-diones (4-oxo-beta-lactams) as scaffolds for designing elastase inhibitors.Dipeptide vinyl sultams: synthesis via the Wittig-Horner reaction and activity against papain, falcipain-2 and Plasmodium falciparum.The Bsmoc group as a novel scaffold for the design of irreversible inhibitors of cysteine proteases.Photophysics, photochemistry, and reactivity: molecular aspects of perylenequinone reactions.Clickable 4-Oxo-β-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes.S-Glutathionylation of Keap1: a new role for glutathione S-transferase pi in neuronal protection.Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category.Recovering Actives in Multi-Antitarget and Target Design of Analogs of the Myosin II Inhibitor Blebbistatin.Diazaborines as New Inhibitors of Human Neutrophil ElastaseDiscovery of new heterocycles with activity against human neutrophile elastase based on a boron promoted one-pot assembly reactionAntiplasmodial Drugs in the Gas Phase: A CID and DFT Study of Quinolon-4(1H)-Imine DerivativesA unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitorsDiscovery of C-shaped aurone human neutrophil elastase inhibitorsSolvent Effects on the Energetics of the Phenol O−H Bond: Differential Solvation of Phenol and Phenoxy Radical in Benzene and AcetonitrileInsights into Medium-chain Acyl-CoA Dehydrogenase Structure by Molecular Dynamics SimulationsProperties and behaviour of tetracyclic allopsoralen derivatives inside a DPPC lipid bilayer model
P50
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P50
description
hulumtuese
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researcher
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wetenschapper
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հետազոտող
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name
Rita C Guedes
@nl
Rita C Guedes
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Rita C. Guedes
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Rita C. Guedes
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type
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Rita C Guedes
@nl
Rita C Guedes
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Rita C. Guedes
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Rita C. Guedes
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Rita C Guedes
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Rita C Guedes
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Rita C. Guedes
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Rita C. Guedes
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P1053
K-5836-2013
P106
P1153
7103388682
P21
P31
P3829
P496
0000-0002-5790-9181