Results 131 to 140 of about 320,211 (227)

Advanced Experiment Design Strategies for Drug Development

Advanced Intelligent Discovery, EarlyView.
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang, Anthony Harker, Mohan Edirisinghe, Maryam Parhizkar   +3 more
wiley   +1 more source

Proximity‐Induced Transfer of a Mass Tag Enables Direct Profiling of Active Matrix Metalloproteases

Angewandte Chemie, EarlyView.
A proximity‐induced, mass‐encoded activity‐based protein profiling (ABPP) approach transfers a MALDI‐detectable α‐cyano‐4‐hydroxycinnamic acid (CHCA) tag directly to active proteases. This tag enables the direct, multiplexed, and quantitative detection of enzyme activity in complex proteomes without enrichment or purification.
Lomane Berthy, Ugo Pasco, Mylene Sejalon‐Cipolla, Pierrick Bruyat, Monika Kaminska, Carole Malgorn, Fabrice Beau, Manca Osolin, Metka Novak, Barbara Breznik, Dimitris Georgiadis, Isabelle Correia, Emeline Groult, Olivier Lequin, Sarah Bregant, Yves‐Marie Pers, Daniele Noel, Robert Thai, Gilles Subra, Sonia Cantel, Laurent Devel   +20 more
wiley   +2 more sources

Protein kinase A is a dependent factor and therapeutic target in mouse models of fibrous dysplasia

Nature Communications
Fibrous dysplasia is a skeletal disorder caused by activating mutations in Gαs, leading to bone fractures, deformities, and pain. Protein kinase A (PKA), the principal effector of Gαs, plays critical roles in various biological processes.
Zhongyu Liu, Lu Xing, Wenlong Huang, Ning Ji, Hang Zhao, Qianming Chen, Xianglong Han, Ding Bai, Xuefeng Zhao   +8 more
doaj   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

The Isolated Thumb Domain of Acid‐Sensing Ion Channels Forms a Minimal Folding Unit Enabling Ligand Binding Studies

Angewandte Chemie, EarlyView.
An independently folded thumb domain from acid‐sensing ion channels (ASICs) preserves ligand‐binding and proton‐sensing properties. NMR‐based interaction and pKa analyses uncover how endogenous and exogenous peptides modulate ASICs, providing a simplified model for rational drug discovery targeting proton‐gated ion channels.
Biswa P. Mishra, Ben Cristofori‐Armstrong, Elena Budusan, Mimi Golder, Neville J. Butcher, Junyu Liu, Theo Crawford, Yanni K.‐Y. Chin, Anneka Pereira Schmidt, Xinying Jia, Taylor B. Smallwood, Richard J. Clark, Jan P. Wurm, Lachlan D. Rash, Mehdi Mobli   +14 more
wiley   +2 more sources

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

Advanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song, Xinmin Li, Hongbo Yu, Le Xiong, Guixia Liu, Weihua Li, Yun Tang   +6 more
wiley   +1 more source

Small‐Molecule Activation of mRNA Translation by Click‐to‐Release Reaction in Cells

Angewandte Chemie, EarlyView.
A new method to control mRNA activity using bioorthogonal click‐to‐release reactions is presented. The 5′ cap is modified with a trans‐cyclooctene (TCO) that quickly reacts with hydroxyaryl‐tetrazines and efficiently releases the native cap 0. TCO‐capped mRNAs are initially translationally inactive but can be activated with non‐toxic, cell‐permeable ...
Tess Vosman, Friedrich Burba, Martin Sumser, Milan Vrabel, Hannes Mikula, Andrea Rentmeister   +5 more
wiley   +2 more sources

How cold is too cold? A theoretical analysis of the optimal trigger for index insurance for frost damage to crops

American Journal of Agricultural Economics, EarlyView.
Abstract Crop insurance is undoubtedly an extremely valuable element in protecting agricultural businesses, but in many cases standard indemnity‐based products have had very low uptake due to high transaction costs elevating premiums to unaffordable levels.
Amogh Prakasha Kumar, Laura Meriluoto, Richard Watt   +2 more
wiley   +1 more source

Domino Polymerization for the Synthesis of Reductively Degradable Poly(disulfide)s With Arbitrary Side‐Chain Structures

Angewandte Chemie, EarlyView.
We developed a novel domino polymerization to synthesize reductively degradable poly(disulfide)s with tunable side chains. A novel monomer bearing thiolactone and pyridyl disulfide groups reacts with various amines, enabling continuous ring‐opening and disulfide exchange.
Yukiya Kitayama, Ryodai Sakamoto, Atsushi Harada   +2 more
wiley   +2 more sources

Cyclic AMP-dependent PKA phosphorylates starfish sperm proteins during acrosome reaction

Open Life Sciences, 2007
Sadiqul Islam M., Hoshi Motonori, Matsumoto Midori   +2 more
doaj   +1 more source