Results 241 to 250 of about 56,045 (311)

Restricted Tweedie stochastic block models

open access: yesCanadian Journal of Statistics, EarlyView.
Abstract The stochastic block model (SBM) is a widely used framework for community detection in networks, where the network structure is typically represented by an adjacency matrix. However, conventional SBMs are not directly applicable to an adjacency matrix that consists of nonnegative zero‐inflated continuous edge weights.
Jie Jian, Mu Zhu, Peijun Sang
wiley   +1 more source

Targeting Ubiquitin‐Specific Protease 7 with Novel 5‐Amino‐Pyrazole Inhibitors: Design, Synthesis, and Biological Evaluation

open access: yesChemMedChem, EarlyView.
Ubiquitin‐specific protease 7 (USP‐7) is a novel target for anticancer therapy. To further extend the structure–activity relationships of the previously USP‐7 inhibitor STIRUR‐41, a library of 5‐aminopyrazoles is reported. 1d shows a potency comparable to lead compound STIRUR‐41 and promising in silico and in vitro pharmacokinetic properties ...
Matteo Lusardi   +9 more
wiley   +1 more source

Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization

open access: yesChemMedChem, EarlyView.
A multitier computational strategy discovers potential USP7 inhibitors using similarity‐based virtual screening, physics‐driven molecular simulations, binding free energy estimations, binary QSAR modeling, and steered molecular dynamics analysis. This integrated approach prioritizes and optimizes lead compounds with strong predicted affinity, offering ...
Ehsan Sayyah   +2 more
wiley   +1 more source

Novel Para‐Phenylenediamine‐Based Derivatives as Receptor Tyrosine Kinase‐like Orphan Receptor 1 (ROR1) Inhibitors: An In Vitro Preliminary Characterization

open access: yesChemMedChem, EarlyView.
ROR1 represents a promising target for the development of novel antiproliferative compounds, giving its high expression in different cancer cell lines. The present study describes the workflow leading to the design, synthesis, and characterization of a series of para‐phenylenediamine‐based compounds able to interact with the target kinase, inhibiting ...
Gerardina Smaldone   +17 more
wiley   +1 more source

Real-World Treatment Outcomes in Black, Hispanic, Asian, and White Patients with Multiple Sclerosis Treated with Natalizumab. [PDF]

open access: yesDrugs Real World Outcomes
Blitz-Shabbir K   +9 more
europepmc   +1 more source

Synthesis and Biological Characterization of 4,4‐Difluoro‐3‐(phenoxymethyl)piperidine Scaffold as Dopamine 4 Receptor (D4R) Antagonist in vitro Tool compounds

open access: yesChemMedChem, EarlyView.
The work presents details of the efforts to design and characterize novel D4 inhibitors. A new 4,4‐difluoropiperidine ether series that confers improved potency and selectivity for D4 versus the other dopamine receptor subtypes is identified. Extensive structure‐activity relationship around this privileged group identifies the key structural changes to
Saeedeh Saeedi   +3 more
wiley   +1 more source

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