Detalhe da pesquisa
1.
Streamlining Large Chemical Library Docking with Artificial Intelligence: the PyRMD2Dock Approach.
J Chem Inf Model
; 64(7): 2143-2149, 2024 Apr 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37552222
2.
Development of Novel Peptidyl Nitriles Targeting Rhodesain and Falcipain-2 for the Treatment of Sleeping Sickness and Malaria.
Int J Mol Sci
; 25(8)2024 Apr 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-38673995
3.
A novel smaller ß-defensin-derived peptide is active against multidrug-resistant bacterial strains.
FASEB J
; 35(12): e22026, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34818435
4.
Development of Reduced Peptide Bond Pseudopeptide Michael Acceptors for the Treatment of Human African Trypanosomiasis.
Molecules
; 27(12)2022 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35744891
5.
PyRMD: A New Fully Automated AI-Powered Ligand-Based Virtual Screening Tool.
J Chem Inf Model
; 61(8): 3835-3845, 2021 08 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-34270903
6.
FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations.
J Chem Inf Model
; 61(9): 4131-4138, 2021 09 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34519200
7.
Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening.
J Chem Inf Model
; 61(4): 2062-2073, 2021 04 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-33784094
8.
Tetrahydroquinazole-based secondary sulphonamides as carbonic anhydrase inhibitors: synthesis, biological evaluation against isoforms I, II, IV, and IX, and computational studies.
J Enzyme Inhib Med Chem
; 36(1): 1874-1883, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34340614
9.
Carbonic anhydrase activation profile of indole-based derivatives.
J Enzyme Inhib Med Chem
; 36(1): 1783-1797, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34340630
10.
Disulfide Bond Replacement with 1,4- and 1,5-Disubstituted [1,2,3]-Triazole on C-X-C Chemokine Receptor Type 4 (CXCR4) Peptide Ligands: Small Changes that Make Big Differences.
Chemistry
; 26(44): 10113-10125, 2020 Aug 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-32603023
11.
SIRT6 interacts with TRF2 and promotes its degradation in response to DNA damage.
Nucleic Acids Res
; 45(4): 1820-1834, 2017 02 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-27923994
12.
Identification of novel indole derivatives acting as inhibitors of the Keap1-Nrf2 interaction.
J Enzyme Inhib Med Chem
; 34(1): 1152-1157, 2019 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-31179771
13.
Novel 2-substituted-benzimidazole-6-sulfonamides as carbonic anhydrase inhibitors: synthesis, biological evaluation against isoforms I, II, IX and XII and molecular docking studies.
J Enzyme Inhib Med Chem
; 34(1): 1697-1710, 2019 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-31537132
14.
Cationic nucleopeptides as novel non-covalent carriers for the delivery of peptide nucleic acid (PNA) and RNA oligomers.
Bioorg Med Chem
; 26(9): 2539-2550, 2018 05 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29656988
15.
Decoration of Chondroitin Polysaccharide with Threonine: Synthesis, Conformational Study, and Ice-Recrystallization Inhibition Activity.
Biomacromolecules
; 18(8): 2267-2276, 2017 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-28650649
16.
Tandem application of ligand-based virtual screening and G4-OAS assay to identify novel G-quadruplex-targeting chemotypes.
Biochim Biophys Acta Gen Subj
; 1861(5 Pt B): 1341-1352, 2017 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-28130159
17.
Discovery of the first dual G-triplex/G-quadruplex stabilizing compound: a new opportunity in the targeting of G-rich DNA structures?
Biochim Biophys Acta Gen Subj
; 1861(5 Pt B): 1271-1280, 2017 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-27836755
18.
Switchable Protecting Strategy for Solid Phase Synthesis of DNA and RNA Interacting Nucleopeptides.
J Org Chem
; 81(23): 11612-11625, 2016 12 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-27791366
19.
Development of novel 1,4-benzodiazepine-based Michael acceptors as antitrypanosomal agents.
Bioorg Med Chem Lett
; 26(15): 3453-6, 2016 08 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27372809
20.
Synthesis and biological evaluation of novel peptidomimetics as rhodesain inhibitors.
J Enzyme Inhib Med Chem
; 31(6): 1184-91, 2016 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-26572904