Detalhe da pesquisa
1.
A Combined Ligand- and Structure-Based Virtual Screening To Identify Novel NaV1.2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity.
J Chem Inf Model
; 63(22): 7083-7096, 2023 Nov 27.
Artigo
Inglês
| MEDLINE | ID: mdl-37917937
2.
A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity.
J Comput Aided Mol Des
; 37(2): 75-90, 2023 02.
Artigo
Inglês
| MEDLINE | ID: mdl-36494599
3.
Triclabendazole and clofazimine reduce replication and spermine uptake in vitro in Toxoplasma gondii.
Parasitol Res
; 123(1): 69, 2023 Dec 23.
Artigo
Inglês
| MEDLINE | ID: mdl-38135783
4.
iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules.
J Chem Inf Model
; 62(12): 2987-2998, 2022 06 27.
Artigo
Inglês
| MEDLINE | ID: mdl-35687523
5.
Structure-Based Virtual Screening Identifies Novobiocin, Montelukast, and Cinnarizine as TRPV1 Modulators with Anticonvulsant Activity In Vivo.
J Chem Inf Model
; 62(12): 3008-3022, 2022 06 27.
Artigo
Inglês
| MEDLINE | ID: mdl-35696534
6.
Tetracycline Derivatives Inhibit Plasmodial Cysteine Protease Falcipain-2 through Binding to a Distal Allosteric Site.
J Chem Inf Model
; 62(1): 159-175, 2022 01 10.
Artigo
Inglês
| MEDLINE | ID: mdl-34962803
7.
Identification of New Carbonic Anhydrase VII Inhibitors by Structure-Based Virtual Screening.
J Chem Inf Model
; 62(19): 4760-4770, 2022 10 10.
Artigo
Inglês
| MEDLINE | ID: mdl-36126250
8.
Homology Modeling and Molecular Dynamics Simulations of Trypanosoma cruzi Phosphodiesterase b1.
Chem Biodivers
; 19(1): e202100712, 2022 Jan.
Artigo
Inglês
| MEDLINE | ID: mdl-34813143
9.
Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study.
J Chem Inf Model
; 61(8): 3758-3770, 2021 08 23.
Artigo
Inglês
| MEDLINE | ID: mdl-34313128
10.
New anticonvulsant candidates prevent P-glycoprotein (P-gp) overexpression in a pharmacoresistant seizure model in mice.
Epilepsy Behav
; 121(Pt B): 106451, 2021 08.
Artigo
Inglês
| MEDLINE | ID: mdl-31420290
11.
Ensemble learning application to discover new trypanothione synthetase inhibitors.
Mol Divers
; 25(3): 1361-1373, 2021 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-34264440
12.
Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets.
J Comput Aided Mol Des
; 34(12): 1275-1288, 2020 12.
Artigo
Inglês
| MEDLINE | ID: mdl-33067653
13.
A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors.
J Enzyme Inhib Med Chem
; 35(1): 21-30, 2020 12.
Artigo
Inglês
| MEDLINE | ID: mdl-31619095
14.
Anticonvulsant effect of sodium cyclamate and propylparaben on pentylenetetrazol-induced seizures in zebrafish.
Synapse
; 71(4)2017 04.
Artigo
Inglês
| MEDLINE | ID: mdl-28118493
15.
Development and Validation of a Computational Model Ensemble for the Early Detection of BCRP/ABCG2 Substrates during the Drug Design Stage.
J Chem Inf Model
; 57(8): 1868-1880, 2017 08 28.
Artigo
Inglês
| MEDLINE | ID: mdl-28708399
16.
Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning.
J Comput Aided Mol Des
; 30(4): 305-21, 2016 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-26891837
17.
Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action.
Bioorg Med Chem
; 24(4): 894-901, 2016 Feb 15.
Artigo
Inglês
| MEDLINE | ID: mdl-26795114
18.
Identification of levothyroxine antichagasic activity through computer-aided drug repurposing.
ScientificWorldJournal
; 2014: 279618, 2014.
Artigo
Inglês
| MEDLINE | ID: mdl-24592161
19.
Application of computer-aided drug repurposing in the search of new cruzipain inhibitors: discovery of amiodarone and bromocriptine inhibitory effects.
J Chem Inf Model
; 53(9): 2402-8, 2013 Sep 23.
Artigo
Inglês
| MEDLINE | ID: mdl-23906322
20.
Making the most effective use of available computational methods for drug repositioning.
Expert Opin Drug Discov
; 18(5): 495-503, 2023 05.
Artigo
Inglês
| MEDLINE | ID: mdl-37021703