Detalhe da pesquisa
1.
Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity.
Nature
; 610(7932): 582-591, 2022 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36171289
2.
Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism.
J Chem Inf Model
; 63(5): 1506-1520, 2023 03 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36802548
3.
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.
J Comput Aided Mol Des
; 32(5): 591-605, 2018 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29564808
4.
Synthesis and biological evaluation of potential inhibitors of the cysteine proteases cruzain and rhodesain designed by molecular simplification.
Bioorg Med Chem
; 25(6): 1889-1900, 2017 03 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28215783
5.
Screening the Pathogen Box to Discover and Characterize New Cruzain and TbrCatL Inhibitors.
Pathogens
; 12(2)2023 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-36839523
6.
Synthesis, Design, and Structure-Activity Relationship of a Benzenesulfonylpiperazine Series against Trypanosoma cruzi.
ChemMedChem
; 17(19): e202200211, 2022 10 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35993440
7.
Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking.
bioRxiv
; 2020 Nov 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-33269349