about
Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds.Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds.Hydrogen-bond-mediated self-assembly of 26-membered diaza tetraester crowns of 3,5-disubstituted 1H-pyrazole. Dimerization study in the solid state and in CDCl3 solution.Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype.Discovery of nitroheterocycles active against African trypanosomes. In vitro screening and preliminary SAR studies.Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.A sequential procedure for rapid and accurate identification of putative trichomonacidal agents.In vitro trichomonacidal activity and preliminary in silico chemometric studies of 5-nitroindazolin-3-one and 3-alkoxy-5-nitroindazole derivatives.Indazoles: a new top seed structure in the search of efficient drugs against Trypanosoma cruzi.A new type of quinoxalinone derivatives affects viability, invasion, and intracellular growth of Toxoplasma gondii tachyzoites in vitro.Further insights into biological evaluation of new anti-Trypanosoma cruzi 5-nitroindazoles.Biological and chemical study of fused tri- and tetracyclic indazoles and analogues with important antiparasitic activity.ESR, electrochemical, molecular modeling and biological evaluation of 4-substituted and 1,4-disubstituted 7-nitroquinoxalin-2-ones as potential anti-Trypanosoma cruzi agents.Simple dialkyl pyrazole-3,5-dicarboxylates show in vitro and in vivo activity against disease-causing trypanosomatids.Indazole N-oxide derivatives as antiprotozoal agents: synthesis, biological evaluation and mechanism of action studies.Synthesis and biological properties of new 5-nitroindazole derivatives.In vitro leishmanicidal activity of 1,3-disubstituted 5-nitroindazoles.Synthesis and in vitro and in vivo biological evaluation of substituted nitroquinoxalin-2-ones and 2,3-diones as novel trichomonacidal agents.Biological assay of a novel quinoxalinone with antimalarial efficacy on Plasmodium yoelii yoelii.3,5-Diamino-1,2,6-thiadiazine 1,1-dioxide derivatives: synthesis and antiparasitic activity.X-ray diffraction, solution structure, and computational studies on derivatives of (3-sec-butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic acid: compounds with activity as calpain inhibitors.New potent 5-nitroindazole derivatives as inhibitors of Trypanosoma cruzi growth: synthesis, biological evaluation, and mechanism of action studies.Nitroindazole compounds inhibit the oxidative activation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) neurotoxin to neurotoxic pyridinium cations by human monoamine oxidase (MAO).Dopamine interaction in the absence and in the presence of Cu2+ ions with macrocyclic and macrobicyclic polyamines containing pyrazole units. Crystal structures of [Cu2(L1)(H2O)2](ClO4)4 and [Cu2(H-1L3)](ClO4)3*2H2O.Ultrastructural alterations induced by nifurtimox and another nitro derivative on epimastigotes of Trypanosoma cruzi.New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors.Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease.In vivo genotoxicity and cytotoxicity assessment of a novel quinoxalinone with trichomonacide activity.Molecular encapsulation of 5-nitroindazole derivatives in 2,6-dimethyl-beta-cyclodextrin: electrochemical and spectroscopic studies.Study of 5-nitroindazoles' anti-Trypanosoma cruzi mode of action: electrochemical behaviour and ESR spectroscopic studies.In vitro and in vivo antitrypanosomatid activity of 5-nitroindazoles.Determination of internal transcribed spacer regions (ITS) in Trichomonas vaginalis isolates and differentiation among Trichomonas species.Identification, occurrence and activity of quinazoline alkaloids in Peganum harmala.Ligand-based discovery of novel trypanosomicidal drug-like compounds: in silico identification and experimental support.Anti-Inflammatory Activity and Cheminformatics Analysis of New Poten t 2-Substituted 1-Methyl-5-Nitroindazolinones.Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs.Antichagasic, Leishmanicidal and Trichomonacidal Activity of 2-Benzyl-5-nitroindazole-Derived Amines.Fishing Anti-Inflammatories from Known Drugs: In Silico Repurposing, Design, Synthesis and Biological Evaluation of Bisacodyl Analogues.Antichagasic and trichomonacidal activity of 1-substituted 2-benzyl-5-nitroindazolin-3-ones and 3-alkoxy-2-benzyl-5-nitro-2H-indazoles.Dry selection and wet evaluation for the rational discovery of new anthelmintics
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Q31034628-A642F411-7D0B-4EAE-BF74-AA17782C98E6Q33335184-3B089627-3CEA-4A4E-9A07-587708211082Q34016924-1635B4A6-F5C1-4DA0-93A9-2731187CEA33Q34048491-2F31FDF4-925B-4E6D-824A-B873F104BD25Q34318962-204C8A71-1201-4549-A4E7-78F8D2ADE710Q35090053-F6E09860-BEB6-4292-BA87-26581D21AFFCQ35222181-7DC49D4C-55A6-48CE-9294-5886E165A9B7Q35829594-0D8965CE-D11A-4ACA-A91E-F2E7C477538CQ38154345-09EA6D2A-EB3A-4527-88D6-19020D78A40BQ38793312-958098FE-DF25-455B-82F6-8133C4818D1FQ39033607-9BA50A9D-E923-40A6-A7D5-877E7F6ED6EBQ39348497-DA4A5ED3-1411-468F-9740-7E9A59FA7951Q39607363-0FF88321-2141-4BDF-8B7B-2C88A36D9BD4Q40268471-7566EEE9-55D9-4551-9834-AE6EEF52B92EQ40315286-D25C2B94-F45A-44A3-8705-30267B778BD5Q40439086-45183980-D3A0-4FC8-9573-B3B0DC205401Q41247153-7B535988-9083-4B5F-B70F-000D0870B3B8Q41431430-E31B0BF9-2207-417C-B50C-83F2162F809EQ41927043-E74A0979-5AB8-4EF2-9851-1983D2528300Q42223500-7B071E51-335B-4B43-81AA-0D55FF0733C3Q43218842-36580738-094F-4896-8D04-50CB474B01BEQ43245430-854CFCCA-31EE-41E7-95E7-32DDA39F275AQ43294352-56A50CE4-93CC-49A2-B532-EC6E55F58DDBQ43775520-A077513C-F3DC-4A84-A6EB-751B23FC8BC0Q43949757-BEDDB966-DED6-408B-92EB-DD414D24E843Q44437018-FF62AEFC-B7AF-4B2B-ADC4-EA58BC4150F1Q45237223-60D516B1-5C76-4366-B44D-59F0EF61BB7FQ45985861-07C72163-CA5F-4744-9AED-AFB39531F86BQ45999079-7CBED9E7-AEB2-40BD-AB44-D3505FDEAF21Q46398127-75D32306-0142-408E-A962-EC10714FD01EQ46427027-F8873AD7-E375-4C3E-BB53-EE81E07EF0BAQ46947628-5097FE37-91DE-4DE7-8C58-2C267668D3AFQ50206230-AB9875D0-9B54-49EF-A961-1D626301D80DQ51565586-AEB50125-99AA-430F-8F43-D805BB3C2FDFQ51759623-DC9090FE-B17A-4D29-B326-086730321A46Q51936433-2E5A2786-9FF5-4226-A8D0-59F015C6FE66Q52602436-F043B809-4B11-4236-AE9B-90359637AD26Q53107666-1C2C3C78-9783-48B4-8629-179C82360657Q53791960-1137FA75-FA94-4C0D-963C-73589B655EF6Q56984963-D1AEC9E2-526B-4F29-B566-98CA68F71328
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description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Vicente J Arán
@nl
Vicente J Arán
@sl
Vicente J. Arán
@en
Vicente J. Arán
@es
type
label
Vicente J Arán
@nl
Vicente J Arán
@sl
Vicente J. Arán
@en
Vicente J. Arán
@es
prefLabel
Vicente J Arán
@nl
Vicente J Arán
@sl
Vicente J. Arán
@en
Vicente J. Arán
@es
P1053
K-8245-2014
P106
P1153
6601927074
P21
P31
P3829
P496
0000-0002-3390-7157