about
Structure-activity relationships of novel inhibitors of glyceraldehyde-3-phosphate dehydrogenase.Detection of intracellular granularity induction in prostate cancer cell lines by small molecules using the HyperCyt high-throughput flow cytometry system.In vivo effects of a GPR30 antagonistMolecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain InhibitorsAnti-trypanosomal activity of non-peptidic nitrile-based cysteine protease inhibitorsSmall molecule inhibitors of hantavirus infectionIn silico selection and cell-based characterization of selective and bioactive compounds for androgen-dependent prostate cancer cell.Integration of methods in cheminformatics and biocalorimetry for the design of trypanosomatid enzyme inhibitors.Novel derivatives of 1,3,4-oxadiazoles are potent mitostatic agents featuring strong microtubule depolymerizing activity in the sea urchin embryo and cell culture assays.Three-dimensional models of non-steroidal ligands: a comparative molecular field analysis.Novel anti-prostate cancer scaffold identified by the combination of in silico and cell-based assays targeting the PI3K-AKT-mTOR pathway.Molecular design, synthesis and biological evaluation of 1,4-dihydro-4-oxoquinoline ribonucleosides as TcGAPDH inhibitors with trypanocidal activity.Efficient calculation of molecular properties from simulation using kernel molecular dynamics.A comparative study of warheads for design of cysteine protease inhibitors.Understanding virulence mechanisms in M. tuberculosis infection via A circuit-based simulation frameworkBiological Activity and Physicochemical Properties of Dipeptidyl Nitrile Derivatives Against Pancreatic Ductal Adenocarcinoma CellsOn the use of porous nanomaterials to photoinactivate E . coli with natural sunlight irradiationThe role of molecular interaction fields on enantioselective and nonselective separation of chiral sulfoxidesThe molecular retention mechanism in reversed-phase liquid chromatography of meso-ionic compounds by quantitative structure-retention relationships (QSRR)In silico screening of HIV-1 non-nucleoside reverse transcriptase and protease inhibitorsA combined study using ligand-based design, synthesis, and pharmacological evaluation of analogues of the acetaminophen ortho-regioisomer with potent analgesic activityLigand efficiency metrics considered harmfulLeveraging the cruzain S3 subsite to increase affinity for reversible covalent inhibitorsPhotolysis of parabens using medium-pressure mercury lamps: Toxicity effects in MCF7, Balb/c 3T3 cells and Ceriodaphnia dubiaDiscovery of small molecule inhibitors of Leishmania braziliensis Hsp90 chaperoneChitosan-laponite nanocomposite scaffolds for wound dressing applicationMapping the S1 and S1' subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agentsSynthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacementPredicting the affinity of halogenated reversible covalent inhibitors through relative binding free energyExperimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitrilesTargeting the Shc-EGFR interaction with indomethacin inhibits MAP kinase pathway signallingLigand-induced conformational selection predicts the selectivity of cysteine protease inhibitorsCan Cysteine Protease Cross-Class Inhibitors Achieve Selectivity?Organometallic Gold(III) Complex [Au(Hdamp)(L14)]+ (L1 = SNS-Donating Thiosemicarbazone) as a Candidate to New Formulations against Chagas DiseaseEvaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent InhibitorsCharacterization, solubility and biological activity of amphihilic biopolymeric Schiff bases synthesized using chitosansDipeptidyl nitrile derivatives have cytostatic effects against Leishmania spp. promastigotes
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Andrei Leitao
@ast
Andrei Leitao
@en
Andrei Leitao
@es
Andrei Leitao
@nl
type
label
Andrei Leitao
@ast
Andrei Leitao
@en
Andrei Leitao
@es
Andrei Leitao
@nl
prefLabel
Andrei Leitao
@ast
Andrei Leitao
@en
Andrei Leitao
@es
Andrei Leitao
@nl
P108
P106
P108
P31
P496
0000-0002-6601-6609