Results 51 to 60 of about 37,292 (264)
, 2023 As the downstream component of the mitogen-activated protein kinases (MAPK) pathway, the extracellular signal-regulated kinase (ERK) is responsible for phosphorylating a broad range of substrates in cell proliferation, differentiation, and survival ...
Mi Zhang (42795) +4 more
core +1 more source
Angewandte Chemie, EarlyView.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 +9 more
wiley +2 more sources
PharmacoForge: pharmacophore generation with diffusion models
Frontiers in BioinformaticsStructure-based drug design (SBDD) is enhanced by machine learning (ML) to improve both virtual screening and de novo design. Despite advances in ML tools for both strategies, screening remains bounded by time and computational cost, while generative ...
Emma L. Flynn +7 more
doaj +1 more source
On the Integration of Pharmacophore Model and Molecular Docking Method
Journal of Algorithms & Computational Technology, 2011 Structure-based molecular docking has been recognized as the most effective virtual screening technology. Two aspects decide the accuracy of virtual screening result: one is the simulation degree to the interaction of ligands and acceptors, the other is ...
G. Dong, X.J. Deng, J.H. Xiao
doaj +1 more source
, 2020 Starting from known GLI1 inhibitors, a pharmacophore-based virtual screening approach was applied to databases of commercially available compounds with the aim of identifying new GLI1 modulators.
Giuseppe Giannini (120417) +6 more
core +1 more source
Molecular Oncology, EarlyView.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 +11 more
wiley +1 more source
Mitochondria‐Damaging Self‐Reporting Probe for Cancer Therapy
Angewandte Chemie, EarlyView.We developed a class of self‐reporting cationic chemotherapeutic probes that selectively induce mitochondrial damage and apoptosis in cancer cells. Their unique mitochondria‐to‐nucleus fluorescence migration enables real‐time visualization of the therapeutic process. ABSTRACT Mitochondrial damage induced by chemotherapeutic agents through disruption of
Hai Xu +10 more
wiley +2 more sources
Molecules, 2023 The newly FDA-approved drug, Axitinib, is an effective therapy against RTKs, but it possesses severe adverse effects like hypertension, stomatitis, and dose-dependent toxicity.
Syeda Abida Ejaz +4 more
doaj +1 more source
, 2017 An intriguing opportunity to address antimicrobial resistance is represented by the inhibition of efflux pumps. Focusing on NorA, the most important efflux pump of Staphylococcus aureus, an efflux pump inhibitors (EPIs) library was used for ligand-based ...
Tommaso Felicetti (3727849) +10 more
core +1 more source
, 2022 The mortality of cancer patients with neuroblastoma is increasing due to the limited availability of specific treatment options. Few drug candidates for combating neuroblastoma have been developed, and identifying novel therapeutic candidates against the
Nouf H. Alsubhi +20 more
core +1 more source