Results 161 to 170 of about 69,838 (265)

Design, synthesis and activity evaluation of tetrahydroisoquinoline‐based programmed cell death ligand 1 inhibitors

open access: yesSmart Molecules, EarlyView.
Based on a 3D‐quantitative structure‐activity relationship pharmacophore model, structural optimization of Y6 yielded Y7f. Mechanistic studies revealed that Y7f acted as a programmed death receptor 1/programmed cell death ligand 1 (PD‐L1) interaction inhibitor by inducing PD‐L1 dimerization. Y7f restored T‐cell function.
Menglin Yu   +15 more
wiley   +1 more source

BayesianKAN: A reaction condition optimization framework integrating Kolmogorov‐Arnold network and Bayesian optimization

open access: yesSmart Molecules, EarlyView.
A novel BayesianKAN framework integrates Kolmogorov‐Arnold networks with Bayesian optimization to efficiently navigate complex factor spaces, accelerating the discovery of optimal reaction conditions for chemical synthesis. Abstract Efficient optimization of chemical reaction conditions is crucial for enhancing reaction yield and selectivity, yet ...
Juntao Wang   +5 more
wiley   +1 more source

Endocytosis‐independent cytosolic entry of messenger RNA via fluorous bilayer zippering attenuating Toll‐like receptor signaling and enables ischemic tissue salvage

open access: yesSmart Molecules, EarlyView.
The present study establishes a paradigm shift in synthetic mRNA delivery through the convergence of three orthogonal chemistries—perfluoro‐acylation, bio‐orthogonal click cross‐linking, and disulfide reduction—within a single, modular polymer architecture. Abstract A fundamental constraint of conventional messenger RNA (mRNA) delivery systems is their
Yue Wang   +8 more
wiley   +1 more source

A multifunctional near‐infrared dual‐channel off‐on‐off probe for sequential detection of fluoride and hypochlorous acid: Multimatrix applications

open access: yesSmart Molecules, EarlyView.
This multifunctional, sequence‐specific probe (DHM) enables stepwise detection: fluoride triggers red/near‐infrared emission via cleavage, then hypochlorous acid induces blue fluorescence. It achieves fast, selective visual detection in environmental samples, foods, and in vivo models.
Tongtong Li   +10 more
wiley   +1 more source

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