Results 211 to 220 of about 2,447,781 (239)

Identification of mIDH1 R132C/S280F Inhibitors from Natural Products by Integrated Molecular Docking, Pharmacophore Modeling and Molecular Dynamics Simulations. [PDF]

Pharmaceuticals (Basel)
Zhang W, Bai H, Wang Y, Wang X, Jin R, Guo H, Lai H, Tang Y, Wang Y.   +8 more
europepmc   +1 more source

Juanbi Tang Attenuates Intervertebral Disc Degeneration by Suppressing p38MAPK/NF‐κB Signaling and Activating Atg5‐Dependent Autophagy to Promote Macrophage M2 Polarization: In Vivo and In Vitro Evidence

Immunity, Inflammation and Disease, Volume 14, Issue 9, September 2026.
Graphical Abstract. Juanbi Tang (JBT) suppresses the p38MAPK/NF‐κB signaling pathway in disc‐infiltrating macrophages, simultaneously activating Atg5‐dependent autophagy. Autophagic degradation of p62/SQSTM1 consolidates NF‐κB inhibition through an autophagy–p62–NF‐κB regulatory module, facilitating macrophage M1‐to‐M2 polarization.
Ye‐Hui Wang, Wei Hou, Guo‐Sheng Tang, Xuan‐Geng Deng, Si‐Mao Song, Wei Cui, Yang Ye, Yang Yu   +7 more
wiley   +1 more source

The identification of potent dual-target monopolar spindle 1 (MPS1) and histone deacetylase 8 (HDAC8) inhibitors through pharmacophore modeling, molecular docking, molecular dynamics simulations, and biological evaluation. [PDF]

Front Pharmacol
Hua H, Guan L, Pan B, Gao J, Geng Y, Niu MM, Li Z, Li J.   +7 more
europepmc   +1 more source

Quantification of 10B and 11B in Biological Samples in Translational Science and Clinical Applications for Boron Neutron Capture Therapy (BNCT)

Medicinal Research Reviews, Volume 46, Issue 5, Page 1362-1389, September 2026.
ABSTRACT Boron neutron capture therapy (BNCT) is a targeted radiotherapy that exploits the selective accumulation of the 10B isotope within tumors, followed by irradiation with low‐energy neutrons to induce high linear energy transfer particles with short path lengths, resulting in localized tumor cell destruction while sparing surrounding healthy ...
Christoph Selg, Wolfgang A. G. Sauerwein, Evamarie Hey‐Hawkins   +2 more
wiley   +1 more source

Isocitrate Dehydrogenase (IDH) Mutations in Hematological Malignancies: Epidemiology, Mechanisms, and Therapeutic Strategies

MedComm – Future Medicine, Volume 5, Issue 3, September 2026.
IDH mutation is an important event in hematological malignancies. This review systematically integrates the basic mechanism of IDH mutations and combines it with the clinical translation of related research progress. It also discusses the application strategies of IDH inhibitors and feasible research directions, with the aim of providing a theoretical ...
Jinkun Xu, Haiying Bai, Lijuan Hu
wiley   +1 more source

Correction to "Structure-based pharmacophore modeling for precision inhibition of mutant ESR2 in breast cancer: A systematic computational approach". [PDF]

Cancer Med
europepmc   +1 more source

MSI: A Mahalanobis‐Based Molecular Similarity Index for High‐Dimensional Embeddings

Molecular Informatics, Volume 45, Issue 9, September 2026.
MSI pairs continuous Mol2Vec embeddings with a covariance‐aware Mahalanobis metric (dM, θM) to overcome the ranking ties and bit‐density bias of Tanimoto fingerprints. Across five reference compounds, MSI resolves more distinct neighbors than ECFP4 + Tanimoto and its geometry tracks HOMO–LUMO gaps in QM9, despite no electronic training.
Roberto Bernal‐Jaquez, Elliot Ridout‐Buhl, Emiliano Montoya, León Alday‐Toledo, Felipe Aparicio   +4 more
wiley   +1 more source

Quinoline-based Schiff bases as possible antidiabetic agents: ligand-based pharmacophore modeling, 3D QSAR, docking, and molecular dynamics simulations study. [PDF]

RSC Med Chem
Ranade SD, Alegaon SG, Khatib NA, Gharge S, Kavalapure RS.   +4 more
europepmc   +1 more source

Receptor-based pharmacophore modeling, molecular docking, synthesis and biological evaluation of novel VEGFR-2, FGFR-1, and BRAF multi-kinase inhibitors. [PDF]

BMC Chem
Abdel-Mohsen HT, Ibrahim MA, Nageeb AM, El Kerdawy AM.   +3 more
europepmc   +1 more source