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Structure-Activity Relationships of Bis-Intercalating Peptides and Their Application as Antibody-Drug Conjugate Payloads

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; ()

Synthetic analogs based on the DNA bis-intercalatingnatural productpeptides sandramycin and quinaldopeptin were investigated as antibodydrug conjugate......

Novel H2S-Releasing Bifunctional Antihistamine Molecules with Improved Antipruritic and Reduced Sedative Actions

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (14)

Hydrogen sulfide (H2S) is an endogenous gasotransmitterwith anti-inflammatory actions that also reduces itching. To testwhether a combination of an an......

Principles and Applications of CF2X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (15)

As an orthogonal principle to the established (hetero)arylhalides,we herein highlight the usefulness of CF2X (X = Cl, Br,or I) moieties. Using tool co......

Discovery of Novel 1,2,3,4-Tetrahydrobenzofuro[2,3-c]pyridine Histone Deacetylase Inhibitors for Efficient Treatment of Hepatocellular Carcinoma

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (15)

The development of histone deacetylase (HDAC) inhibitorsfor treatinghematologic malignancies has been widely investigated, while theirrole in hepatoce......

Cyclic Diguanylate G-Quadruplex Inducer-Nitric Oxide Donor Conjugate as a Bifunctional Antibiofilm Agent and Antibacterial Synergist against Pseudomonas aeruginosa with a Hyperbiofilm Phenotype

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (17)

Antibiotic resistance caused by biofilm formation isa clinicalchallenge. Nitric oxide (NO) can effectively disperse a mature biofilmand can also syner......

Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (18)

Current small-molecule PD-1/PD-L1 inhibitors are mainly based on the arylmethylamine/ biphenyl core scaffold. Herein, we designed for the first time a......

Development of 18F-Labeled PET Tracer Candidates for Imaging of the Abelson Non-receptor Tyrosine Kinase in Parkinson's Disease

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (18)

Activated Abelson non-receptor tyrosine kinase (c-Abl) plays a harmful role in neurodegenerative conditions such as Parkinson's disease (PD). Inhibiti......

Synthesis, Structure-Activity Relationships, Radiofluorination, and Biological Evaluation of [18F]RM365, a Novel Radioligand for Imaging the Human Cannabinoid Receptor Type 2 (CB2R) in the Brain with PET

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (20)

The development of cannabinoid receptor type 2 (CB2R) PET radioligands has been intensively explored due to the pronounced CB2R upregulation under var......

Prediction of Small-Molecule Developability Using Large-Scale In Silico ADMET Models

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (20)

Early in silico assessment of the potential of a series of compounds to deliver a drug is one of the major challenges in computer-assisted drug design......

In Vivo Near-Infrared Fluorescence Imaging Selective for Soluble Amyloid β Aggregates Using y-Shaped BODIPY Derivative

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (20)

Soluble amyloid beta (A beta) aggregates, suggested to be the most toxic forms of A beta, draw attention as therapeutic targets and biomarkers of Alzh......

Discovery of Novel Fourth-Generation EGFR Inhibitors to Overcome C797S-Mediated Resistance

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (21)

Epidermal growth factor receptor (EGFR)-activating mutation is an important oncogenic driver of nonsmall cell lung cancer (NSCLC) patients. Osimertini......

Discovery of Potent Agonists for the Predominant Variant of the Orphan MAS-Related G Protein-Coupled Receptor X4 (MRGPRX4)

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (23)

The MAS-related G(q) protein-coupled receptor X4 (MRGPRX4) is poorly investigated. MRGPRX4 has been proposed to be involved in pain transmission, itch......

Discovery of Novel 2,3-Dihydro-1H-indene-5-sulfonamide NLRP3 Inflammasome Inhibitors Targeting Colon as a Potential Therapy for Colitis

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (23)

The NLRP3 inflammasome is a multiprotein complex that plays a crucial role in the pathophysiology of multiple inflammation-related diseases. In this s......

Development of MPS1 Inhibitors: Recent Advances and Perspectives

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 66 (24)

Monopolar spindle kinase 1 (MPS1) plays a pivotal role as a dual-specificity kinase governing spindle assembly checkpoint activation and sister chroma......

ChemEM: Flexible Docking of Small Molecules in Cryo-EM Structures

期刊: JOURNAL OF MEDICINAL CHEMISTRY, 2023; 67 (1)

Cryo-electron microscopy (cryo-EM), through resolution advancements, has become pivotal in structure-based drug discovery. However, most cryo-EM struc......

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