Results 181 to 190 of about 41,275 (293)

Explainable Artificial Intelligence (XAI) and Molecular Modeling Techniques to Discover Putative HER2 Inhibitors. [PDF]

Int J Mol Sci
Rampogu S, Balasubramaniyam T, Yoon CH, Kim Y, Kubiak JZ, Lee KW.   +5 more
europepmc   +1 more source

Organelle‐Resolved Tetrazine‐trans‐Cyclooctene Click Chemistry for Cargo Delivery and Release

Chemistry – A European Journal, Volume 32, Issue 35, 19 September 2026.
Bioorthogonal click chemistry tools provide a means for specific intracellular conjugation of molecules. In this study, we used reactive tetrazine (Tz) and TCO moieties for labeling of organelles and organelle‐specific delivery and activation of doxorubicin prodrugs.
Oleh Durydivka, Marek Chovanec, Rastislav Dzijak, Michal Rahm, Jachym Hrusak, Paul E. Reyes‐Gutierrez, Milan Vrabel   +6 more
wiley   +1 more source

Borylcyclopropanes: Synthetic Strategies and Applications

Angewandte Chemie, Volume 138, Issue 37, 7 September 2026.
Borylcyclopropanes (cyclopropanes bearing a boron substituent) sit at the intersection of two privileged frameworks in synthesis. This review provides the first exhaustive survey of their chemistry, spanning metal–carbene, nucleophilic cyclization, radical, hydroboration, and C─H activation routes, and documenting applications in medicinal chemistry ...
Aiza A. Butt, Joseph M. Ready
wiley   +2 more sources

Computational investigation for exploring botanical ingredients as potential negative allosteric modulators targeting metabotropic glutamate receptor 5. [PDF]

Res Pharm Sci
Singh P, Patra J, Saeedan AS, Aldossary SA, Ansari MN.   +4 more
europepmc   +1 more source

Structure-Guided Identification of GPR84 Ligand Candidates With Potential Immunomodulatory Activities. [PDF]

ChemMedChem
Pham HT, Morales-Alvarez A, Gilbertson T, Nguyen H.   +3 more
europepmc   +1 more source

Underexplored Ligand-Binding Features of FabI From Staphylococcus aureus and Escherichia coli: A Comparative Pharmacophoric Modeling and Surface Mapping Approach. [PDF]

ChemMedChem
Leite PTTF, Ocarino LHS, Veríssimo GC, Fernandes PO, Pereira DF, Oliveira FKME, Marbán-González A, Medina-Franco JL, Serafim MSM, Kronenberger T, Maltarollo VG.   +10 more
europepmc   +1 more source

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

An integrative computational and experimental evaluation of natural compounds with potential to target LuxS in Klebsiella pneumoniae. [PDF]

Arch Microbiol
Mamosebo MJ, Ayrga S, Madhi SA, Khan S.
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