Results 181 to 190 of about 13,822,676 (240)

Oxadiazolone‐Triazole Derivatives as a New Scaffold for Modulation of Angiotensin II‐Induced Vascular Contraction

ChemMedChem, Volume 21, Issue 17, 14 September 2026.
A novel series of candidate AT1 receptor antagonists based on oxadiazolone‐triazole scaffolds was designed and synthesized. Most compounds reduced angiotensin II‐induced vascular contraction in an initial biological screening, with compound 7f emerging as the most active derivative.
Larissa F. L. Ferreira, Daiana G. de A. Vasconcelos, Ruth C. A. Santos, Jivaldo G. Ferreira, Alice V. Araújo, Janaína V. dos Anjos   +5 more
wiley   +1 more source

Identification of Potential SARS-CoV-2 Main Protease (MPro) Inhibitors Through Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Approaches. [PDF]

Int J Mol Sci
Khan MY, Maarfi F, Shah AU, Duraisamy N, Cherkaoui M, Hemida MG.   +5 more
europepmc   +1 more source

Redefining Fluoroquinolone Antibiotics: Design and Synthesis of Degradable Fluoroquinolones to Reduce Environmental Persistence

ChemSusChem, Volume 19, Issue 17, 14 September 2026.
Redesign and development of an efficient, robust synthesis platform for environmentally improved fluoroquinolones. A significant challenge associated with antibiotics, and active pharmaceutical ingredients in general, is their intentional design for high stability, which promotes environmental persistence and contributes to the development of ...
Nathan Raeymackers, Emile De Mol, Martin Yenokyan, Morten Suk, Klaus Kümmerer, Thomas S. A. Heugebaert, Christian V. Stevens   +6 more
wiley   +1 more source

A Novel Class of “Super‐Strained” Spiro Heterocycles: Gateway to 1‐Azaspiro[3.3]heptane Derivatives, and Biological Validation

Angewandte Chemie, Volume 138, Issue 36, 1 September 2026.
A new class of “super‐strained” spiro heterocycles—spirocyclic 1‐azabicyclo[1.1.0]butanes—was synthesized via insertion of cyclobutane‐, oxetane‐, and azetidine‐containing sulfonium reagents into substituted azirines. The stability of this new class of compounds was studied.
Philipp Natho, Annarita Vicenti, Marco Colella, Francesco Pasca, Giuseppe Romanazzi, Mauro Niso, Carmen Abate, Ernesto Mesto, Emanuela Schingaro, Renzo Luisi   +9 more
wiley   +2 more sources

In silico pipeline for GSK 3β inhibitor discovery in Alzheimer's disease using pharmacophore screening, docking, ADME filtering, and MD validation. [PDF]

Sci Rep
Elkotamy MS, Elgohary MK, Alkotami AS, Eldesouki MM, Elsayed ZM, Mattar AA, Abo-Ashour MF, Tawfik HO, Eldehna WM, Abdel-Aziz HA.   +9 more
europepmc   +1 more source

Further Investigations on Natural and Synthetic Bis-(1,2,3,4-tetrahydroisoquinoline) Derivatives Interacting with the Apamin-Sensitive Site of Small-Conductance Calcium-Activated Potassium Channels. [PDF]

Molecules
Taouba H, Vitello R, Pereira Barbon D, Hayen JL, Herbet C, Faliński SP, Tumanov N, Wouters J, Liégeois JF.   +8 more
europepmc   +1 more source

Ligand-based pharmacophore modeling for the discovery of Na_V1.7 inhibitors. [PDF]

J Comput Aided Mol Des
Piga M, Lukacs P, Pesti K, Várady G, Varga Z, Zidar N, Tomašič T.   +6 more
europepmc   +1 more source

ZW4864‐mediated inhibition of the β‐catenin/BCL9/BCL9L complex reveals therapeutic potential in bladder cancer

Molecular Oncology, Volume 20, Issue 9, Page 2296-2322, September 2026.
BCL9 and BCL9L drive bladder cancer progression by enhancing β‐catenin signaling, promoting proliferation, migration, invasion, and organoid growth. Genetic depletion of BCL9(L) suppresses malignant phenotypes, while pharmacological disruption of the β‐catenin/BCL9(L) complex with ZW4864 inhibits canonical Wnt signaling and tumor‐associated cellular ...
Roland Kotolloshi, Mandy Berndt‐Paetz, Eileen Lerner, Gregoire Najjar, Anca Azoitei, Krishna Pal Singh, Shailendra Kumar Gupta, Olaf Wolkenhauer, Cagatay Günes, Otmar Huber, Marc‐Oliver Grimm, Daniel Steinbach   +11 more
wiley   +1 more source

Acute Myeloid Leukemia(AML) proteins for in silico drug design using pharmacophore modeling, molecular docking and molecular dynamics simulation. [PDF]

PLoS One
Bosu P, Adhikary T, Rafi AS, Iqbal N, Rasool F, Ahmed P.   +5 more
europepmc   +1 more source

Explainable artificial intelligence reveals divergent learning in pharmacophore-based hierarchical pooling graph neural networks. [PDF]

Sci Rep
Urrutia MJT, Mastropietro A, Bajorath J.
europepmc   +1 more source