Results 141 to 150 of about 20,280 (253)

Artificial intelligence empowers targeted protein degradation: Core technological innovations, multi‐scenario applications, and translational prospects

Smart Molecules, EarlyView.
AI is transforming TPD by improving the design, prediction, and optimization of degraders such as PROTACs, molecular glues, and LYTACs. This review summarizes key AI‐driven advances, highlights applications across drug discovery stages, and discusses remaining challenges and future directions for accelerating the development of therapies against ...
Shuanglin Qin, Rui Peng, Guangshuai Zhang, Si Yan, Jin Xiao, Zishu Liu, Ziyu Tan, Qingqing Xie, Shangjie Li, Wei Luo, Xiaohe Xiao   +10 more
wiley   +1 more source

Natural Chlorin e6 Derivative Containing a Cationic Dimethyl Piperazinyl Moiety for Efficient Photodynamic Therapy of Cancer

ACS Omega
Andrey V. Kustov, Philipp K. Morshnev, Nataliya L. Smirnova, Tatyana V. Kustova, Tatyana E. Zorina, Vladimir P. Zorin, Alexander K. Gagua, Nikita S. Fomin, Denis S. Lyapin, Mikhail D. Fomichev, Dmitry B. Berezin, Olga B. Abramova   +11 more
doaj   +1 more source

Diterpenoids in medicinal plants: structure, distribution, biological activities, biosynthesis, and bioengineering prospects. [PDF]

Front Plant Sci
Zou X, Cheng Y, Chen X.
europepmc   +1 more source

How We Simulate Nanopores

Small Methods, EarlyView.
Nanopore technology has revolutionized single‐molecule sensing, yet it suffers from an inherent interpretive challenge. Molecular dynamics has emerged as a go‐to method for determining the relationship between the structure of translocating molecules and the nanopore current signals.
Behzad Mehrafrooz, Xavier Mleziva, Meng Xu, Melika Shekari, Christopher Maffeo, Aleksei Aksimentiev   +5 more
wiley   +1 more source

Confinement Catalysis Enables Macrocyclization at Up to 0.6 M: Selective Formation of Mono- and Dimeric Glycosidic Macrocycles. [PDF]

J Am Chem Soc
Guria S, Bechter J, Prescimone A, Tiefenbacher K.   +3 more
europepmc   +1 more source

Establishment of a Human Cell‐Based In Vitro Test System for Investigating and Evaluating Cytotoxic and Immunomodulatory Effects of Indoor Mold

Environmental Toxicology, EarlyView.
ABSTRACT Mold growth in damp indoor environments is a widespread problem associated with respiratory health effects, though causal mechanisms remain incompletely understood. We established a human cell‐based in vitro test system using bronchial epithelial cells (NuLi‐1) and macrophages (THP‐1) to assess inhalation toxicity and immunomodulatory effects ...
Anja Wolff, Jessica Reinert, Silke Steinborn, Marion Berger, Judith Neuhoff, Lennart Marske, Kerttu Valtanen, Udo Jäckel, Stefanie Klar   +8 more
wiley   +1 more source

Anthelmintic resistance in gastrointestinal nematodes of small ruminants in Southern Africa: a review and comparative analysis. [PDF]

Vet Res Commun
Mavundela S, Dzemo WD.
europepmc   +1 more source

Peptide‐directed nanovehicles enabling tumor‐selective ROS amplification and antitumor immunity

VIEW, EarlyView.
Cancer cells are vulnerable to oxidative stress, yet exploit immune tolerance to escape destruction. In contrast, their metabolic profile is markedly altered to support rapid proliferation, accompanied by elevated production of reactive oxygen species (ROS).
Manuela Calin, Galyna Bila, Ileana Manduteanu, Rostyslav Bilyy   +3 more
wiley   +1 more source

High-throughput automated molecular replacement for small-molecule MicroED data. [PDF]

IUCrJ
Thibodeaux A, Bu G, Edwards LC, Rova Danelius E.   +3 more
europepmc   +1 more source

Diverse DTPA‐chelated lanthanides with relevance for nuclear medicine bound to an engineered lipocalin reveal conserved ligand geometry

Acta Crystallographica Section F, EarlyView.
Structural and binding studies of the engineered lipocalin CL31d towards the chelate complexes of 11 different lanthanide and main‐group metal(III) ions, whose radioisotopes are useful for nuclear medicine, with a functionalized DTPA revealed a surprisingly broad tolerance towards varying ionic radii, thus enabling flexible radionuclide‐targeting ...
Alina Mirwald, Andreas Eichinger, Arne Skerra   +2 more
wiley   +1 more source