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Microbial Aspartic Protease: Bio -synthesis, Characteristics, and Emerging Applications: A review.
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- Journal of Food Science & Technology (2008-8787), 2024, v. 21, n. 150, p. 76, doi. 10.22034/FSCT.21.150.76
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Untargeted metabolomics‐based identification of bioactive compounds from Mangifera indica L. seed extracts in drug discovery through molecular docking and assessment of their anticancer potential.
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- Journal of the Science of Food & Agriculture, 2024, v. 104, n. 10, p. 5907, doi. 10.1002/jsfa.13421
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- Article
A DNA Force Circuit for Exploring Protein‐Protein Interactions at the Single‐Molecule Level<sup>†</sup>.
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- Chinese Journal of Chemistry, 2024, v. 42, n. 13, p. 1456, doi. 10.1002/cjoc.202300723
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An Overview of SARS-CoV-2 Potential Targets, Inhibitors, and Computational Insights to Enrich the Promising Treatment Strategies.
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- Current Microbiology, 2024, v. 81, n. 7, p. 1, doi. 10.1007/s00284-024-03671-3
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Tackling neurodegeneration in vitro with omics: a path towards new targets and drugs.
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- Frontiers in Molecular Neuroscience, 2024, p. 1, doi. 10.3389/fnmol.2024.1414886
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- Article
Phytoremedial Effect Of Ocimum sanctum Against Arsenic Induced Toxicity In Charles Foster Rats.
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- Journal of Advanced Zoology, 2024, v. 45, n. 3, p. 525
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Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition.
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- Journal of Applied Toxicology, 2024, v. 44, n. 7, p. 1050, doi. 10.1002/jat.4601
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Mathematical modeling and problem solving: from fundamentals to applications.
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- Journal of Supercomputing, 2024, v. 80, n. 10, p. 14116, doi. 10.1007/s11227-024-06007-x
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Fastlomap: faster lead optimization mapper algorithm for large-scale relative free energy perturbation.
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- Journal of Supercomputing, 2024, v. 80, n. 10, p. 14417, doi. 10.1007/s11227-024-06006-y
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Dissecting the pleiotropic roles of reactive oxygen species (ROS) in lung cancer: From carcinogenesis toward therapy.
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- Medicinal Research Reviews, 2024, v. 44, n. 4, p. 1566, doi. 10.1002/med.22018
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Natural products as IL‐6 inhibitors for inflammatory diseases: Synthetic and SAR perspective.
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- Medicinal Research Reviews, 2024, v. 44, n. 4, p. 1683, doi. 10.1002/med.22022
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Using ChatGPT in family medicine and primary health care.
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- South African Family Practice, 2024, v. 66, n. 1, Part 3, p. 1, doi. 10.4102/safp.v66i1.5895
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Phage-encoded bismuth bicycles enable instant access to targeted bioactive peptides.
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- Communications Chemistry, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42004-024-01232-0
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MTMol-GPT: De novo multi-target molecular generation with transformer-based generative adversarial imitation learning.
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- PLoS Computational Biology, 2024, v. 20, n. 6, p. 1, doi. 10.1371/journal.pcbi.1012229
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Novel hematopoietic progenitor kinase 1 inhibitor KHK-6 enhances T-cell activation.
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- PLoS ONE, 2024, v. 19, n. 6, p. 1, doi. 10.1371/journal.pone.0305261
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In silico approaches for drug repurposing in oncology: a scoping review.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1400029
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Deep representation learning of chemical-induced transcriptional profile for phenotype-based drug discovery.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49620-3
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Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49614-1
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Expression and purification of human neutrophil proteinase 3 from insect cells and characterization of ligand binding.
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- PLoS ONE, 2024, v. 19, n. 6, p. 1, doi. 10.1371/journal.pone.0294827
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Translational pathology in drug discovery.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1409092
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Precise recognition of benzonitrile derivatives with supramolecular macrocycle of phosphorylated cavitand by co-crystallization method.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49540-2
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Expedient Access to <sup>18</sup>F‐Fluoroheteroarenes via Deaminative Radiofluorination of Aniline‐Derived Pyridinium Salts.
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- Angewandte Chemie, 2024, v. 136, n. 26, p. 1, doi. 10.1002/ange.202404945
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The <sup>18</sup>F‐Difluoromethyl Group: Challenges, Impact and Outlook.
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- Angewandte Chemie, 2024, v. 136, n. 26, p. 1, doi. 10.1002/ange.202404957
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Stereoselective polar radical crossover for the functionalization of strained-ring systems.
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- Communications Chemistry, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42004-024-01221-3
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Small molecule in situ resin capture provides a compound first approach to natural product discovery.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49367-x
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- Article
Physiological platelet aggregation assay to mitigate drug-induced thrombocytopenia using a microphysiological system.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-64063-y
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Unveiling new genetic insights in rheumatoid arthritis for drug discovery through Taxonomy3 analysis.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-64970-0
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Editorial: Towards a new 3Rs era in experimental research.
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- Frontiers in Behavioral Neuroscience, 2024, p. 1, doi. 10.3389/fnbeh.2024.1404294
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Exploring orphan GPCRs in neurodegenerative diseases.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1394516
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- Article
Hypersensitivity to BK<sub>Ca</sub> channel opening in persistent post-traumatic headache.
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- Journal of Headache & Pain, 2024, v. 25, n. 1, p. 1, doi. 10.1186/s10194-024-01808-0
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Volatile communication in Actinobacteria: a language for secondary metabolism regulation.
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- Microbial Cell Factories, 2024, v. 23, n. 1, p. 1, doi. 10.1186/s12934-024-02456-4
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- Article
Pin1-catalyzed conformational regulation after phosphorylation: A distinct checkpoint in cell signaling and drug discovery.
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- Science Signaling, 2024, v. 17, n. 841, p. 1, doi. 10.1126/scisignal.adi8743
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Detergenschemie beeinflusst die Überschreitung planetarer Grenzen einschließlich antimikrobieller Resistenz und Arzneimittelentwicklung.
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- Angewandte Chemie, 2024, v. 136, n. 25, p. 1, doi. 10.1002/ange.202403833
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- Article
Effiziente Cu‐katalysierte Tandem‐Klicksynthese von mehrfach zuckermodifizierten Oligonukleotiden.
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- Angewandte Chemie, 2024, v. 136, n. 25, p. 1, doi. 10.1002/ange.202405161
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- Article
Hoslundia opposita vahl; a potential source of bioactive compounds with antioxidant and antibiofilm activity for wound healing.
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- BMC Complementary Medicine & Therapies, 2024, v. 24, n. 1, p. 1, doi. 10.1186/s12906-024-04540-z
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Recent Advances in Developing Radical Methods for the Synthesis of Aliphatic Sulfonyl Fluorides.
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- European Journal of Organic Chemistry, 2024, v. 27, n. 23, p. 1, doi. 10.1002/ejoc.202400279
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- Article
Beyond Psychotropic: Potential Repurposing of Fluoxetine toward Cancer Therapy.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6314, doi. 10.3390/ijms25126314
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- Article
Modeling of Blood–Brain Barrier (BBB) Dysfunction and Immune Cell Migration Using Human BBB-on-a-Chip for Drug Discovery Research.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6496, doi. 10.3390/ijms25126496
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New Molecular Mechanisms and Markers in Inflammatory Disorders.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6506, doi. 10.3390/ijms25126506
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- Article
Developing a Tanshinone IIA Memetic by Targeting MIOS to Regulate mTORC1 and Autophagy in Glioblastoma.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6586, doi. 10.3390/ijms25126586
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Adapt-cMolGPT: A Conditional Generative Pre-Trained Transformer with Adapter-Based Fine-Tuning for Target-Specific Molecular Generation.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6641, doi. 10.3390/ijms25126641
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- Article
Determining the Affinity and Kinetics of Small Molecule Inhibitors of Galectin-1 Using Surface Plasmon Resonance.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6704, doi. 10.3390/ijms25126704
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Roadblocks confronting widespread dissemination and deployment of Organs on Chips.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-48864-3
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Editorial: Targeting ion channels for drug discovery: emerging challenges for high throughput screening technologies.
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- Frontiers in Molecular Neuroscience, 2024, p. 01, doi. 10.3389/fnmol.2024.1414816
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ReCorDE: a framework for identifying drug classes targeting shared vulnerabilities with applications to synergistic drug discovery.
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- Frontiers in Oncology, 2024, p. 1, doi. 10.3389/fonc.2024.1343091
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Development of a new hazard scoring system in primary neuronal cell cultures for drug-induced acute neuronal toxicity identification in early drug discovery.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1308547
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Topological regression as an interpretable and efficient tool for quantitative structure-activity relationship modeling.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49372-0
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The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications.
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- Communications Chemistry, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42004-024-01220-4
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- Article
Heteroaryl 2‐Sulfonamide Synthesis by S<sub>N</sub>2 Reaction–Oxidation Cascade.
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- European Journal of Organic Chemistry, 2024, v. 27, n. 22, p. 1, doi. 10.1002/ejoc.202400235
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An end-to-end method for predicting compound-protein interactions based on simplified homogeneous graph convolutional network and pre-trained language model.
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- Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00862-9
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