Medicinal chemistry & drug discovery
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161 studies
- A Mini-Review on Thalidomide: Chemistry, Mechanisms of Action, Therapeutic Potential and Anti-Angiogenic Properties in Multiple Myeloma
- Defining the Oxysterolome: Analytical Coverage, Metabolic Connectivity, and Biological Validation
- Pharmacological targeting of the NLRP3 LRR domain with isothiazolinones overcomes CRID3-resistant inflammation
- From Nature to Medicine: Overcoming the Limitations of Herbal Therapeutics for Pancreatic Cancer Treatment Based on Nanotechnology
- Speak to a Protein: An Interactive Multimodal Co-Scientist for Protein Analysis.
- Fragment-based drug discovery strategy reveals an unprecedented allosteric binding site in Mycobacterium tuberculosis DNA gyrase
- Isatin derivatives as potent cholinesterase inhibitors: recent developments and future challenges
- Carltonine B derivatives: Synthesis and structure-activity relationship insights for selective butyrylcholinesterase inhibition
- CADD-guided design of novel triclosan–hydrazone hybrids with antibacterial and antimycobacterial activity as InhA inhibitors
- Rational Design of Diaryl Ether-Based Dual Inhibitors Targeting Successive Essential Enzymes HadAB and InhA in Mycobacterium tuberculosis
- Optimizing the Antibiotic Potency and Metabolic Stability of Pyridomycin Using a Semisynthetic Approach
- Comparison of Honokiol Contents in Different Plant Parts of Magnolia obovata Collected at Various Times and Cultivation Sites, Using Honokiol Exhibiting Antiproliferative Activity against Cancer Stem Cells Derived from Human Glioblastoma
- Diiron(I) Complexes with Promising Anticancer Properties Obtained by CO-To-Isocyanide Substitution of [Fe2Cp2(CO)4]
- Exploiting the B–N/C–C Isosterism Yields Nile‐Red Inspired Organoboron Dyes Capable of Singlet‐Oxygen Photosensitization
- Microvesicles from Turmeric Extracts Contain Curcuminoids and Modulate Macrophage Polarization and Migration
- Identification of dual-targeting PROTACs for ataxia telangiectasia and RAD3-related and aurora kinase A as chemo-sensitizers for leukemia cells
- Beyond Phenylbutyric Acid: Evans Blue and Ibuprofen as Albumin- Binding Motifs for PSMA-Targeted Radioligand Therapy of Prostate Cancer
- Chemist-aligned retrosynthesis by ensembling diverse inductive bias models
- Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer
- Comparative Phytochemical and Biological Evaluation of Four Thymus Species From Türkiye for Dermocosmetic Applications
- Key Molecular Parameters of PEI for Efficient DNA Delivery into HEK293T Cells
- DockM8: an all-in-one open-source platform for consensus virtual screening in drug design
- The Virtual Biotech: A multi-agent AI framework for therapeutic discovery and development
- Training a force field for proteins and small molecules from scratch
- In-Context Molecular Property Prediction with LLMs: A Blinding Study on Memorization and Knowledge Conflicts.