Detalhe da pesquisa
1.
De novo molecular design with deep molecular generative models for PPI inhibitors.
Brief Bioinform
; 23(4)2022 07 18.
Artigo
Inglês
| MEDLINE | ID: mdl-35830870
2.
Transformer-Based Molecular Generative Model for Antiviral Drug Design.
J Chem Inf Model
; 64(7): 2733-2745, 2024 Apr 08.
Artigo
Inglês
| MEDLINE | ID: mdl-37366644
3.
Leveraging the Fragment Molecular Orbital and MM-GBSA Methods in Virtual Screening for the Discovery of Novel Non-Covalent Inhibitors Targeting the TEAD Lipid Binding Pocket.
Int J Mol Sci
; 25(10)2024 May 14.
Artigo
Inglês
| MEDLINE | ID: mdl-38791396
4.
PhyloSophos: a high-throughput scientific name mapping algorithm augmented with explicit consideration of taxonomic science, and its application on natural product (NP) occurrence database processing.
BMC Bioinformatics
; 24(1): 475, 2023 Dec 14.
Artigo
Inglês
| MEDLINE | ID: mdl-38097955
5.
Targeting FLT3-TAZ signaling to suppress drug resistance in blast phase chronic myeloid leukemia.
Mol Cancer
; 22(1): 177, 2023 11 06.
Artigo
Inglês
| MEDLINE | ID: mdl-37932786
6.
Leveraging the Fragment Molecular Orbital Method to Explore the PLK1 Kinase Binding Site and Polo-Box Domain for Potent Small-Molecule Drug Design.
Int J Mol Sci
; 24(21)2023 Oct 27.
Artigo
Inglês
| MEDLINE | ID: mdl-37958623
7.
Prediction of polyreactive and nonspecific single-chain fragment variables through structural biochemical features and protein language-based descriptors.
BMC Bioinformatics
; 23(1): 520, 2022 Dec 05.
Artigo
Inglês
| MEDLINE | ID: mdl-36471239
8.
Identification of Novel Natural Product Inhibitors against Matrix Metalloproteinase 9 Using Quantum Mechanical Fragment Molecular Orbital-Based Virtual Screening Methods.
Int J Mol Sci
; 23(8)2022 Apr 18.
Artigo
Inglês
| MEDLINE | ID: mdl-35457257
9.
Isolindleyin exerts anti-melanogenic effects in human epidermal melanocytes via direct binding to tyrosinase.
Biochem Biophys Res Commun
; 534: 802-807, 2021 01 01.
Artigo
Inglês
| MEDLINE | ID: mdl-33162034
10.
Identification and characterization of saikosaponins as antagonists of transient receptor potential A1 channel.
Phytother Res
; 34(4): 788-795, 2020 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-31782210
11.
Tyrosinase-Targeting Gallacetophenone Inhibits Melanogenesis in Melanocytes and Human Skin-Equivalents.
Int J Mol Sci
; 21(9)2020 Apr 29.
Artigo
Inglês
| MEDLINE | ID: mdl-32365630
12.
Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model.
J Chem Inf Model
; 58(4): 761-772, 2018 04 23.
Artigo
Inglês
| MEDLINE | ID: mdl-29561152
13.
Discovery of a small-molecule inhibitor of Dvl-CXXC5 interaction by computational approaches.
J Comput Aided Mol Des
; 32(5): 643-655, 2018 05.
Artigo
Inglês
| MEDLINE | ID: mdl-29627878
14.
Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aß-induced mitochondrial dysfunction.
J Comput Aided Mol Des
; 31(10): 929-941, 2017 Oct.
Artigo
Inglês
| MEDLINE | ID: mdl-28913661
15.
In silico probing and biological evaluation of SETDB1/ESET-targeted novel compounds that reduce tri-methylated histone H3K9 (H3K9me3) level.
J Comput Aided Mol Des
; 31(10): 877-889, 2017 Oct.
Artigo
Inglês
| MEDLINE | ID: mdl-28879500
16.
Inhibition of collagenase and melanogenesis by ethanol extracts of Orostachys japonicus A. Berger: possible involvement of Erk and Akt signaling pathways in melanoma cells.
Acta Biochim Biophys Sin (Shanghai)
; 49(10): 945-953, 2017 Oct 01.
Artigo
Inglês
| MEDLINE | ID: mdl-28981602
17.
Inhibition of cancer cell invasion by new ((3,4-dihydroxy benzylidene)hydrazinyl)pyridine-3-sulfonamide analogs.
Bioorg Med Chem Lett
; 26(4): 1322-8, 2016 Feb 15.
Artigo
Inglês
| MEDLINE | ID: mdl-26810259
18.
Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist.
J Comput Aided Mol Des
; 30(8): 625-37, 2016 08.
Artigo
Inglês
| MEDLINE | ID: mdl-27600555
19.
Identification of small-molecule compounds targeting the dishevelled PDZ domain by virtual screening and binding studies.
Bioorg Med Chem
; 24(15): 3259-66, 2016 08 01.
Artigo
Inglês
| MEDLINE | ID: mdl-27112452
20.
Identification of a Small Benzamide Inhibitor of Influenza Virus Using a Cell-Based Screening.
Chemotherapy
; 61(3): 159-66, 2016.
Artigo
Inglês
| MEDLINE | ID: mdl-26821172