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| 37758905 | αExtractor: a system for automatic extraction of chemical information from biomedical literature. | Sci China Life Sci | 2024 |
| 35918411 | Discovery and identification of a novel small molecule BCL-2 inhibitor that binds to the BH4 domain. | Acta Pharmacol Sin | 2023 |
| 37833261 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. | Nat Commun | 2023 |
| 37693123 | STING agonist-boosted mRNA immunization via intelligent design of nanovaccines for enhancing cancer immunotherapy. | Natl Sci Rev | 2023 |
| 37735468 | A viral RNA-dependent RNA polymerase inhibitor VV116 broadly inhibits human coronaviruses and has synergistic potency with 3CLpro inhibitor nirmatrelvir. | Signal Transduct Target Ther | 2023 |
| 35778488 | AlphaFold2 versus experimental structures: evaluation on G protein-coupled receptors. | Acta Pharmacol Sin | 2023 |
| 37058956 | Synthesis, cytotoxicity, and pharmacokinetic evaluations of niclosamide analogs for anti-SARS-CoV-2. | Eur J Med Chem | 2023 |
| 37453063 | Spermine is a natural suppressor of AR signaling in castration-resistant prostate cancer. | Cell Rep | 2023 |
| 37452028 | Sequence-based drug design as a concept in computational drug design. | Nat Commun | 2023 |
| 37236197 | YTHDF2 inhibition potentiates radiotherapy antitumor efficacy. | Cancer Cell | 2023 |
| 37094153 | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. | Proc Natl Acad Sci U S A | 2023 |
| 36720854 | Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor. | Nat Commun | 2023 |
| 36808996 | Design, Synthesis, and Biological Evaluation of Bipyridazine Derivatives as Stimulator of Interferon Genes (STING) Receptor Agonists. | J Med Chem | 2023 |
| 36645983 | Design, synthesis of novel benzimidazole derivatives as ENL inhibitors suppressing leukemia cells viability via downregulating the expression of MYC. | Eur J Med Chem | 2023 |
| 36930810 | Rational Design of Organelle-Targeted Fluorescent Probes: Insights from Artificial Intelligence. | Research (Wash D C) | 2023 |
| 36527541 | PanGu Drug Model: learn a molecule like a human. | Sci China Life Sci | 2023 |
| 36229599 | Discovery and characterization of a novel cGAS covalent inhibitor for the treatment of inflammatory bowel disease. | Acta Pharmacol Sin | 2023 |
| 34319533 | Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches. | Sci China Life Sci | 2022 |
| 35799215 | Blood-brain barrier penetration prediction enhanced by uncertainty estimation. | J Cheminform | 2022 |
| 35378372 | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold. | Bioorg Chem | 2022 |
| 35646528 | Discovery of ARF1-targeting inhibitor demethylzeylasteral as a potential agent against breast cancer. | Acta Pharm Sin B | 2022 |
| 35728870 | L-5-hydroxytryptophan promotes antitumor immunity by inhibiting PD-L1 inducible expression. | J Immunother Cancer | 2022 |
| 35497020 | Why is the SARS-CoV-2 Omicron variant milder? | Innovation (Camb) | 2022 |
| 35429988 | Oral remdesivir derivative VV116 is a potent inhibitor of respiratory syncytial virus with efficacy in mouse model. | Signal Transduct Target Ther | 2022 |
| 35427476 | Identification and evaluation of a lipid-lowering small compound in preclinical models and in a Phase I trial. | Cell Metab | 2022 |
| 35365755 | Structural insights into ligand binding and activation of the human thyrotropin-releasing hormone receptor. | Cell Res | 2022 |
| 35390714 | Dual-acting antitumor agents targeting the A<sub>2A</sub> adenosine receptor and histone deacetylases: Design and synthesis of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine derivatives. | Eur J Med Chem | 2022 |
| 35516801 | High-Resolution Digital Panorama of Multiple Structures in Whole Brain of Alzheimer's Disease Mice. | Front Neurosci | 2022 |
| 35776404 | Answer for questions of repeated measurements of variance analysis and distribution test of data - Authors' reply. | Front Med | 2022 |
| 36543774 | Insights into divalent cation regulation and G<sub>13</sub>-coupling of orphan receptor GPR35. | Cell Discov | 2022 |
| 36467583 | Hinge region mediates signal transmission of luteinizing hormone and chorionic gonadotropin receptor. | Comput Struct Biotechnol J | 2022 |
| 36575181 | Structures of adenosine receptor A<sub>2B</sub>R bound to endogenous and synthetic agonists. | Cell Discov | 2022 |
| 36939801 | Increased Soluble Epoxide Hydrolase Activity Positively Correlates with Mortality in Heart Failure Patients with Preserved Ejection Fraction: Evidence from Metabolomics. | Phenomics | 2022 |
| 36726755 | High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors. | Protein Cell | 2022 |
| 35970999 | Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119. | Nat Struct Mol Biol | 2022 |
| 35940204 | Hormone- and antibody-mediated activation of the thyrotropin receptor. | Nature | 2022 |
| 36368306 | Molecular recognition of morphine and fentanyl by the human μ-opioid receptor. | Cell | 2022 |
| 36170055 | Computationally Elucidating the Binding Kinetics for Different AChE Inhibitors to Access the Rationale for Improving the Drug Efficacy. | J Phys Chem B | 2022 |
| 35925880 | Discovery of Small-Molecule Degraders of the CDK9-Cyclin T1 Complex for Targeting Transcriptional Addiction in Prostate Cancer. | J Med Chem | 2022 |
| 36354082 | In vitro and in vivo evaluation of the main protease inhibitor FB2001 against SARS-CoV-2. | Antiviral Res | 2022 |
| 36386479 | A potent PGK1 antagonist reveals PGK1 regulates the production of IL-1<i>β</i> and IL-6. | Acta Pharm Sin B | 2022 |
| 33907306 | A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors. | Acta Pharmacol Sin | 2022 |
| 33850276 | Natural product 1,2,3,4,6-penta-O-galloyl-β-D-glucopyranose is a reversible inhibitor of glyceraldehyde 3-phosphate dehydrogenase. | Acta Pharmacol Sin | 2022 |
| 33850273 | P300/CBP inhibition sensitizes mantle cell lymphoma to PI3Kδ inhibitor idelalisib. | Acta Pharmacol Sin | 2022 |
| 33872498 | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. | J Med Chem | 2022 |
| 35133176 | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. | Science | 2022 |
| 35074533 | Graph neural network approaches for drug-target interactions. | Curr Opin Struct Biol | 2022 |
| 35219216 | Recent advances in predicting protein-protein interactions with the aid of artificial intelligence algorithms. | Curr Opin Struct Biol | 2022 |
| 35275993 | An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph. | Brief Bioinform | 2022 |
| 35089030 | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). | J Med Chem | 2022 |