Detalhe da pesquisa
1.
Fragment-based drug discovery supports drugging 'undruggable' protein-protein interactions.
Trends Biochem Sci;
48(6): 539-552, 2023 06.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36841635
2.
ACFIS 2.0: an improved web-server for fragment-based drug discovery via a dynamic screening strategy.
Nucleic Acids Res;
51(W1): W25-W32, 2023 07 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37158247
3.
Exploring the kinase-inhibitor fragment interaction space facilitates the discovery of kinase inhibitor overcoming resistance by mutations.
Brief Bioinform;
23(4)2022 07 18.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35649390
4.
PTMdyna: exploring the influence of post-translation modifications on protein conformational dynamics.
Brief Bioinform;
23(1)2022 01 17.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34643234
5.
Unveiling toxicity profile for food risk components: A manually curated toxicological databank of food-relevant chemicals.
Crit Rev Food Sci Nutr;
: 1-16, 2022 Dec 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36457196
6.
3D-QSAR (CoMFA, CoMSIA), molecular docking and molecular dynamics simulations study of 6-aryl-5-cyano-pyrimidine derivatives to explore the structure requirements of LSD1 inhibitors.
Bioorg Med Chem Lett;
27(15): 3521-3528, 2017 08 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-28610981
7.
Protein Kinases as Potential Targets Contribute to the Development of Agrochemicals.
J Agric Food Chem;
71(1): 52-64, 2023 Jan 11.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36592042
8.
Discovery of Macrocycle-Based HPK1 Inhibitors for T-Cell-Based Immunotherapy.
J Med Chem;
66(1): 611-626, 2023 01 12.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36542759
9.
Metabolic alteration of Tetrahymena thermophila exposed to CdSe/ZnS quantum dots to respond to oxidative stress and lipid damage.
Biochim Biophys Acta Gen Subj;
1867(1): 130251, 2023 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36244576
10.
Synthesis and Biological Activity Evaluation of Benzoxazinone-Pyrimidinedione Hybrids as Potent Protoporphyrinogen IX Oxidase Inhibitor.
J Agric Food Chem;
71(39): 14221-14231, 2023 Oct 04.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37729497
11.
Discovery of a Subnanomolar Inhibitor of Protoporphyrinogen IX Oxidase via Fragment-Based Virtual Screening.
J Agric Food Chem;
71(23): 8746-8756, 2023 Jun 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37261811
12.
Deciphering Nonbioavailable Substructures Improves the Bioavailability of Antidepressants by Serotonin Transporter.
J Med Chem;
66(1): 371-383, 2023 01 12.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36598095
13.
Web support for the more efficient discovery of kinase inhibitors.
Drug Discov Today;
27(8): 2216-2225, 2022 08.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35398561
14.
Fragment-based drug design facilitates selective kinase inhibitor discovery.
Trends Pharmacol Sci;
42(7): 551-565, 2021 07.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33958239
15.
Computational Fragment-Based Design Facilitates Discovery of Potent and Selective Monoamine Oxidase-B (MAO-B) Inhibitor.
J Med Chem;
63(23): 15021-15036, 2020 12 10.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33210537
16.
Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations.
J Biomol Struct Dyn;
37(13): 3482-3495, 2019 08.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30175693
17.
Identifying the novel inhibitors of lysine-specific demethylase 1 (LSD1) combining pharmacophore-based and structure-based virtual screening.
J Biomol Struct Dyn;
37(16): 4200-4214, 2019 10.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30366512
18.
Development of Highly Potent, Selective, and Cellular Active Triazolo[1,5- a]pyrimidine-Based Inhibitors Targeting the DCN1-UBC12 Protein-Protein Interaction.
J Med Chem;
62(5): 2772-2797, 2019 03 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30803229
19.
[Morphological and quality difference of adult Anguilla japonica under three aquaculture models].
Ying Yong Sheng Tai Xue Bao;
23(5): 1385-92, 2012 May.
Artigo
em Zh
| MEDLINE
| ID: mdl-22919853