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Modular access to saturated bioisosteres of anilines via photoelectrochemical decarboxylative C(sp3)–N coupling
Published 2025-01-01“…Abstract In drug development, the substitution of benzene rings in aniline-based drug candidates with saturated bridged bicyclic ring systems often enhances pharmacokinetic properties while preserving biological activity. …”
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Img2Side: A Transfer Learning Based Model for Predicting Drug Side Effects Using 2D Chemical Structural Images
Published 2024-01-01“…The collected results indicate a significant advancement in predicting drug side effects and offer a promising avenue for streamlining the drug development process.…”
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284
Immunoglobulin Gamma-Like Therapeutic Bispecific Antibody Formats for Tumor Therapy
Published 2019-01-01“…Bispecific antibodies (BsAbs) are a sort of dual functional proteins with specific binding to two distinct targets, which have become a focus of interest in antibody engineering and drug development research and have a promising future for wide applications in cancer immunotherapy and autoimmune disease. …”
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285
Structural basis of Spliced Leader RNA recognition by the Trypanosoma brucei cap-binding complex
Published 2025-01-01“…Moreover, the observed structural similarities and differences between TbCBC and the mammalian cap-binding complex will be crucial for considering the potential of TbCBC as a target for anti-trypanosomatid drug development.…”
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286
Automated workflow for the cell cycle analysis of (non-)adherent cells using a machine learning approach
Published 2024-11-01“…This report presents a valuable tool for advancing cancer research and drug development by enabling comprehensive, automated cell cycle analysis in both adherent and non-adherent cells.…”
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287
Deciphering the potential of plant metabolites as insecticides against melon fly (Zeugodacus cucurbitae): Exposing control alternatives to assure food security
Published 2025-01-01“…However, as this study was conducted solely through computational methods, we recommend subsequent in vitro and field trials for the future drug development.…”
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288
Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell Models
Published 2025-01-01“…The investigation evidently suggested that the three flavonoids above could be considered potential anti-VEGF agents for the following drug development against VEGF-mediated diseases.…”
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KGRDR: a deep learning model based on knowledge graph and graph regularized integration for drug repositioning
Published 2025-02-01“…Computational drug repositioning, serving as an effective alternative to traditional drug discovery plays a key role in optimizing drug development. This approach can accelerate the development of new therapeutic options while reducing costs and mitigating risks. …”
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292
CDPMF-DDA: contrastive deep probabilistic matrix factorization for drug-disease association prediction
Published 2025-01-01“…Abstract The process of new drug development is complex, whereas drug-disease association (DDA) prediction aims to identify new therapeutic uses for existing medications. …”
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293
Reduction of monoclonal antibody viscosity using interpretable machine learning
Published 2024-12-01“…We expect that this approach can be readily integrated into the drug development process to reduce the need for experimental viscosity screening and improve the identification of antibody candidates with drug-like properties.…”
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294
Chemometric Methods—A Valuable Tool for Investigating the Interactions Between Antifungal Drugs (Including Antifungal Antibiotics) and Food
Published 2025-01-01“…Incorporating chemometric techniques into the early drug development stages could facilitate the design of antifungal antibiotics and other antifungal agents with optimized absorption in the presence of dietary components.…”
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295
Efficacy and safety of CAR-T cell therapy in B-ALL patients previously treated with blinatumomab
Published 2025-02-01Get full text
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296
From guideline to practice: three years of ICH S11 insights and recommendations
Published 2025-02-01“…The WoE approach in ICH S11 ensures that relevant safety information is generated to support paediatric drug development while balancing the principles of non-clinical replacement, reduction and refinement (the 3Rs).…”
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297
hERGAT: predicting hERG blockers using graph attention mechanism through atom- and molecule-level interaction analyses
Published 2025-01-01“…Thus, screening for hERG channel blockers is a crucial step in the drug development process. Many in silico models have been developed to predict hERG blockers, which can efficiently save time and resources. …”
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298
Proteome-Wide Identification and Comparison of Drug Pockets for Discovering New Drug Indications and Side Effects
Published 2025-01-01“…Drug development faces significant financial and time challenges, highlighting the need for more efficient strategies. …”
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299
Network pharmacology: a crucial approach in traditional Chinese medicine research
Published 2025-01-01“…The application of network pharmacology in TCM is widespread, covering areas such as identifying the material basis of TCM efficacy, unraveling mechanisms of action, and evaluating toxicity, safety, and novel drug development. However, challenges remain, such as the lack of standardized data collection across databases and insufficient consideration of processed herbs in research. …”
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Hypoglycemic natural products with in vivo activities and their mechanisms: a review
Published 2022-09-01“…And some of them show effects on diabetic complications, which is a significant idea for drug development. This review aims to summarize natural products with hypoglycemic effects and their details, such as potential mechanisms, biological data, and particularly their advantages in treating diabetes. …”
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