Results 171 to 180 of about 2,447,781 (239)

Diarylethene‐Containing Photoswitchable Analogues of Tubulysins—Design, Synthesis, Biological, and Structural Evaluation

European Journal of Organic Chemistry, Volume 29, Issue 35, 19 September 2026.
Diarylethene‐containing cyclic tubulysin analogues were designed, synthesized, and evaluated as light‐responsive cytotoxic agents. One analogue showed reversible photoswitching, photoregulated tubulin polymerization inhibition, and photoform‐dependent cytotoxicity.
Anna Iampolska, Sergii Afonin, Oleg Babii, Mahri Park, Juan Estévez‐Gallego, Michel O. Steinmetz, Andrea E. Prota, Anne S. Ulrich, David R. Spring, Igor V. Komarov   +9 more
wiley   +1 more source

Structure-based identification of novel FAK1 inhibitors using pharmacophore modeling, molecular dynamics, and MM/PBSA calculations. [PDF]

Sci Rep
Hajipasha A, Cherati NG, Darzi M, Nateghi SS, Mohsenian SAS, Noorzaei M, Dinaki FK, Halimi M.   +7 more
europepmc   +1 more source

Water-Based Pharmacophore Modeling in Kinase Inhibitor Design: A Case Study on Fyn and Lyn Protein Kinases. [PDF]

J Chem Inf Model
Ljubič M, Sollner Dolenc M, Borišek J, Perdih A.   +3 more
europepmc   +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

Pharmacophore Modeling of Janus Kinase Inhibitors: Tools for Drug Discovery and Exposition Prediction. [PDF]

Molecules
Fischer F, Temml V, Schuster D.
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

Novel inhibitors of the (VIBVN) NAT protein identified through pharmacophore modeling. [PDF]

Sci Rep
Wei W, Li X, Hou N, Xie A, Liang H, Gao T, Jing X, Li L, Hao J, Xu X.   +9 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

Development of DHODH inhibitors incorporating virtual screening, pharmacophore modeling, fragment-based optimization methods, ADMET, molecular docking, molecular dynamics, PCA analysis, and free energy landscape. [PDF]

PLoS One
Wang Q, Xu YH, Jiang H, Deng B, Liang Z.
europepmc   +1 more source

Molecular Insights into Bromocriptine Binding to GPCRs Within Histamine-Linked Signaling Networks: Network Pharmacology, Pharmacophore Modeling, and Molecular Dynamics Simulation. [PDF]

Int J Mol Sci
Dermawan D, Elbouamri L, Chtita S, Alotaiq N.   +3 more
europepmc   +1 more source