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Repurposing of Drugs for Antibacterial Activities on Selected ESKAPE Bacteria Staphylococcus aureus and Pseudomonas aeruginosa
Published 2020-01-01“…Repurposing of old drugs for the treatment of antimicrobial resistant pathogens has been explored as an alternative strategy in the field of antimicrobial drug discovery. Ten non-antimicrobial compounds were screened for antibacterial activity on two ESKAPE organisms, Staphylococcus aureus and Pseudomonas aeruginosa. …”
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324
Exploring target selectivity in designing and identifying PI3Kα inhibitors for triple negative breast cancer with fragment-based and bioisosteric replacement approach
Published 2025-01-01“…After extensive literature analysis, it was observed that fragment-based drug discovery, combined with structure-based virtual screening and bioisosteric replacement strategy, could provide a novel way for hit-to-lead optimization. …”
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325
Pharmacophore-based approach for the identification of prospective UDP-2,3-diacylglucosamine hydrolase (LpxH) inhibitor from natural product database against Salmonella Typhi
Published 2025-06-01“…This study illustrates how computational techniques, such as MD simulations and pharmacophore modeling, can speed up drug discovery, especially in the fight against antibiotic resistance.…”
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326
High-Yield Generation of Glucose-Responsive Pseudoislets From Murine Insulinoma Cells for Studies and Longitudinal Monitoring of Graft Survival
Published 2025-01-01“…Overall, this platform provides an accessible protocol for generating high yields of 3D pseudoislets and non-invasive longitudinal monitoring of graft survival in different models offer advantages over primary islets for optimization and mechanistic studies of β cell biology, drug discovery, T1D pathogenesis and prevention, and β cell transplantation.…”
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Transforming precision medicine: The potential of the clinical artificial intelligent single‐cell framework
Published 2025-01-01“…Future applications of caiSC could include digital cell twins, offering in‐depth simulations of cellular behavior to support drug discovery and personalized treatments. Regulatory considerations are discussed, underscoring the need for SaMD/AIaMD certifications for clinical use. …”
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Evaluating translational science knowledge gains following an online short course for a general scientific audience
Published 2025-01-01“…Students reported the course helped them learn about the trajectory of a drug discovery and development initiative, where their own work fit in, and scientific and operational approaches to apply in their own work. …”
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331
Isolation and Bioactivity of Natural Products from <i>Streptomyces</i> sp. MA37
Published 2025-01-01“…The isolation and characterization of bioactive metabolites from <i>Streptomyces</i> species continue to represent a vital area of research, given their potential in natural product drug discovery. In this study, we characterize a new siderophore called legonoxamine I, together with a known compound, streptimidone, from the talented soil bacterium <i>Streptomyces</i> sp. …”
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332
Advances in the Development and Application of Human Organoids: Techniques, Applications, and Future Perspectives
Published 2025-01-01“…This progress has expanded their application across several domains, including regenerative medicine, where organoids offer potential for tissue replacement and repair; disease modeling, which allows for the study of disease mechanisms and progression in a controlled environment; drug discovery and evaluation, where organoids provide a more accurate platform for testing drug efficacy and safety; and microecological research, where they contribute to understanding the interactions between microbes and host tissues. …”
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333
Antioxidant, Antimicrobial, and Protein Kinase Inhibition Profiling of C. ambrosioides Seed Extracts along with RP-HPLC
Published 2022-01-01“…The validation of underexplored traditional plant remedies represents a reservoir of novel leads for drug discovery. In line with this, in vitro total phenolics and flavonoids content, multimode antioxidants, antimicrobial, cytotoxicity, and protein kinase inhibition assays were conducted on C. ambrosioides seed extracts in addition to RP-HPLC. …”
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334
The algebraic extended atom-type graph-based model for precise ligand–receptor binding affinity prediction
Published 2025-01-01“…The AGL-EAT-Score marks a significant advancement in drug design, offering a tool that could potentially refine and accelerate the drug discovery process. Scientific Contribution The AGL-EAT-Score presents an algebraic graph-based framework that predicts ligand-receptor binding affinity by constructing multiscale weighted colored subgraphs from the 3D structure of protein-ligand complexes. …”
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Molecular Characterization and Antibacterial Potential of Endophytic Fungal Isolates from Selected Mangroves along the Coastline of Kenya
Published 2024-01-01“…It is recommended that the pure compounds from these extracts be isolated for further bioactivity tests and structural elucidation for consideration as lead molecules in drug discovery. In addition, the genes responsible for the enhanced bioactivity in these isolates can be characterized and bioengineered for pharmaceutical application.…”
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336
Novel tetracycline hybrids: synthesis, characterization, docking studies and in-vitro evaluation of antibacterial activity
Published 2025-01-01“…These hybrids can serve as a promising lead compound for antibiotic drug discovery.…”
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337
InceptionDTA: Predicting drug-target binding affinity with biological context features and inception networks
Published 2025-02-01“…Predicting drug-target binding affinity via in silico methods is crucial in drug discovery. Traditional machine learning relies on manually engineered features from limited data, leading to suboptimal performance. …”
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338
Girolline is a sequence context-selective modulator of eIF5A activity
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Explication of Pharmacological Proficiency of Phytoconstituents from Adansonia digitata Bark: An In Vitro and In Silico Approaches
Published 2024-01-01“…Compared to other drug discovery sources, traditional medicine has significantly contributed to developing innovative therapeutic molecules for preventive and curative medicine. …”
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System Pharmacological Approach to Investigate and Validate Multitargeted and Therapeutic Effect of Furocoumarins of Apium graveolens L. for Treatment of Kidney Disease
Published 2024-01-01“…System pharmacological approaches play important roles in drug discovery and development and in biomolecular exploration to investigate the multitarget therapeutic effects of phytochemicals for the treatment of acute and chronic ailments. …”
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