Medicinal chemistry & drug discovery
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161 studies
- Stick–Slip Behavior of Ethenzamide-Based Binary Powder Mixtures Evaluated Using the Shear Cell Method: φCSL as a Robust State Parameter
- Pharmacophore-Conditioned Diffusion Model for Ligand-Based De Novo Drug Design
- Green Ultrasound-Assisted Extraction of Podophyllotoxin from Juniperus scopulorum Needles
- (Hemi)synthesis of ribazole-2′,3′-cyclophosphate: a key building block in cobamide chemistry
- Preventing oxaliplatin-induced peripheral neuropathy with a Pt(IV)-Mn(II) prodrug: Toxicity, behavioral and X-ray fluorescence microscopy studies
- The pharmacological potential and metabolic risks of Xiaojin Pill in sorafenib-resistant papillary thyroid carcinoma: an integrated network analysis.
- Bone morphogenetic protein 4 meets artificial intelligence: a comprehensive review of AI-driven advances in drug discovery, structural modeling, and clinical translation
- Novel inhibitors of HSV-1 protease effective in vitro and in vivo
- Advancing Blue‐Light Photoactivatable TAM Kinase Inhibitors for Cancer Treatment: Challenges in Using π ‐Extended Coumarins as Photocleavable Protecting Groups
- Synthesis, characterization and biological evaluation of newly designed silver(I)-N-heterocyclic carbene (NHC) complexes
- Performances and Critical Limitations of Docking and Protein–Ligand Interactions for Efficacy-Driven Virtual Screening Targeting Class A GPCRs
- Integrated machine learning, pharmacophore screening, and structure-based computational approaches for the identification of novel JAK3 inhibitors
- Weighted Views Representation with Multi-Head Coulomb Attention for Molecular Property Prediction
- A Potent Solution for Tumor Growth and Angiogenesis Suppression via an ELR⁺CXCL-CXCR1/2 Pathway Inhibitor
- Embedded Morgan Fingerprints for More Efficient Molecular Property Predictions With Machine Learning
- Green synthesis of copper oxide nanoparticles ST@CuONPs by Streptomyces thinghirensis: current treatment path against multidrug-resistant bacteria
- Antiviral profile of hepatitis B virus capsid assembly modulator ALG-001075, the parent of pevifoscorvir sodium
- Exploiting DprE2 pathway redundancy to enhance potency and overcome resistance to pretomanid in Mycobacterium tuberculosis
- Synthesis and biological evaluation of Retro-2-based PROTACs reveal PEG-linker length and warhead impact on GSPT1 degradation
- Large-scale prospective evaluation of co-folding across hundreds of Mac1–ligand complexes and three virtual screens
- Stabilization of the Max homodimer with a small molecule attenuates Myc-driven transcription
- Exercise oncology and tumor sterol metabolism: An emerging mechanistic frontier
- Molecular engineering of lysosome-based degraders unveils a rapidly expanding therapeutic strategy
- Reversing the Hypoxic Adaptive Response in Breast Cancer Cells through Small-Molecule Inhibition of Oncogenic MicroRNA-210
- New small molecular drug approvals for 2025: clinical applications, mechanism of action, and chemical synthesis