Detalhe da pesquisa
1.
Molecular binding of different classes of organophosphates to methyl parathion hydrolase from Ochrobactrum species.
Proteins
; 92(1): 96-105, 2024 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-37646471
2.
Stimulating T cell responses against patient-derived breast cancer cells with neoantigen peptide-loaded peripheral blood mononuclear cells.
Cancer Immunol Immunother
; 73(3): 43, 2024 Feb 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-38349410
3.
GraphEGFR: Multi-task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity.
J Comput Chem
; 2024 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38713612
4.
Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery.
J Comput Chem
; 45(13): 953-968, 2024 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38174739
5.
Synthesis and biological evaluation of 2'-hydroxychalcone derivatives as AMPK activators.
Bioorg Chem
; 143: 107048, 2024 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-38141328
6.
Correction: Nukulkit et al. Eight Indole Alkaloids from the Roots of Maerua siamensis and Their Nitric Oxide Inhibitory Effects. Molecules 2022, 27, 7558.
Molecules
; 29(7)2024 Mar 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38611965
7.
Daidzein Hydroxylation by CYP81E63 Is Involved in the Biosynthesis of Miroestrol in Pueraria mirifica.
Plant Cell Physiol
; 64(1): 64-79, 2023 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36218384
8.
Mangiferin is a new potential antimalarial and anticancer drug for targeting serine hydroxymethyltransferase.
Arch Biochem Biophys
; 745: 109712, 2023 09 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37543353
9.
Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CLpro through Structure-Based Virtual Screening and Experimental Approaches.
J Chem Inf Model
; 63(16): 5244-5258, 2023 08 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37581276
10.
Enhancement by pyrazolones of colistin efficacy against mcr-1-expressing E. coli: an in silico and in vitro investigation.
J Comput Aided Mol Des
; 37(10): 479-489, 2023 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37488458
11.
Immunomodulatory Effects of New Phenanthrene Derivatives from Dendrobium crumenatum.
J Nat Prod
; 86(5): 1294-1306, 2023 05 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37140218
12.
Voriconazole Eye Drops: Enhanced Solubility and Stability through Ternary Voriconazole/Sulfobutyl Ether ß-Cyclodextrin/Polyvinyl Alcohol Complexes.
Int J Mol Sci
; 24(3)2023 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-36768671
13.
In Vitro and In Silico Study on the Molecular Encapsulation of α-Tocopherol in a Large-Ring Cyclodextrin.
Int J Mol Sci
; 24(5)2023 Feb 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36901859
14.
Rational Design of a Low-Data Regime of Pyrrole Antioxidants for Radical Scavenging Activities Using Quantum Chemical Descriptors and QSAR with the GA-MLR and ANN Concepts.
Molecules
; 28(4)2023 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36838583
15.
Quantitative Structure-Electrochemistry Relationship (QSER) Studies on Metal-Amino-Porphyrins for the Rational Design of CO2 Reduction Catalysts.
Molecules
; 28(7)2023 Mar 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37049867
16.
In Silico and In Vitro Study of Janus Kinases Inhibitors from Naphthoquinones.
Molecules
; 28(2)2023 Jan 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-36677654
17.
Discovery of Novel EGFR Inhibitor Targeting Wild-Type and Mutant Forms of EGFR: In Silico and In Vitro Study.
Molecules
; 28(7)2023 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37049777
18.
Lichen-Derived Diffractaic Acid Inhibited Dengue Virus Replication in a Cell-Based System.
Molecules
; 28(3)2023 Jan 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-36770642
19.
N-Containing α-Mangostin Analogs via Smiles Rearrangement as the Promising Cytotoxic, Antitrypanosomal, and SARS-CoV-2 Main Protease Inhibitory Agents.
Molecules
; 28(3)2023 Jan 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-36770770
20.
Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease.
J Chem Inf Model
; 62(6): 1498-1509, 2022 03 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35245424