Results 191 to 200 of about 692,160 (279)

New Hydrazone Derivatives Featuring Isatin and Piperazine Moieties: Synthesis, Cytotoxicity Evaluation, and Molecular Modeling Studies

Journal of Applied Toxicology, EarlyView.
ABSTRACT In this study, ten novel compounds (IPH1–IPH10) were designed by integrating three pharmacophores (isatin, piperazine, and hydrazone) commonly found in the molecular structures of anticancer agents. The target molecules were obtained by the reaction of in‐house prepared 4‐(4‐(pyridin/pyrimidin‐2‐yl)piperazin‐1‐yl)benzohydrazide with various ...
Semiha Köprü, Münevver Baran, Miyase Gözde Gündüz, Şengül Dilem Doğan   +3 more
wiley   +1 more source

(N)-Methanocarba-adenosines as monoamine transporter allosteric inhibitors: Extended N⁶ groups for bitopic stabilization. [PDF]

Eur J Med Chem
Tosh DK, Pavan M, Kozell LB, Eshleman AJ, Schmachtenberg JL, Wolfrum KM, Schutzer WE, Abbas AI, Jacobson KA.   +8 more
europepmc   +1 more source

Potential Neuroendocrine Disruption by Benzodiazepines and Its Impact on Male Fertility

Journal of Applied Toxicology, EarlyView.
ABSTRACT Neuroactive substances have emerged as potent endocrine disruptors affecting male reproductive health through central and peripheral mechanisms. Among these, benzodiazepines, which are widely used for the management of anxiety, insomnia, epilepsy, and neuromuscular disorders, are known as GABA A (gamma‐aminobutyric acid type A) receptor ...
Ana Clara Melo Andrade de Rodrigues, Julia Gonçalves Rodrigues, Marcos de Lucca Moreira Gomes, Fernanda Carolina Ribeiro Dias   +3 more
wiley   +1 more source

Deep learning-guided discovery of selective JAK2-JH2 allosteric inhibitors: integration of MLP predictive modeling, BREED-based library design, and computational validation. [PDF]

Front Chem
Ouassaf M, Zekri A, Khan SU, Rengasamy KRR, Alhatlani BY.   +4 more
europepmc   +1 more source

Noncanonical Nucleotides in the Genome Around the Maternal‐Zygotic Transition

Journal of Experimental Zoology Part B: Molecular and Developmental Evolution, EarlyView.
In this paper, Kazzazi et al. provide a comprehensive review of the dynamics of nonconventional nucleotides in the genome during early developmental stages, hypothesizing a potential role for these nucleotides in the activation of the zygotic genome. ABSTRACT From the very moment of fertilization and throughout development, the cells of animal embryos ...
Latifa Kazzazy, Dávid Mező, Kinga K. Nagy, Viktória Perey‐Simon, Judit Tóth, Angéla Békési, Beáta Vértessy, Máté Varga   +7 more
wiley   +1 more source

Water and chloride as allosteric inhibitors in WNK kinase osmosensing. [PDF]

Elife
Teixeira LR, Akella R, Humphreys JM, He H, Goldsmith EJ.   +4 more
europepmc   +1 more source

Precision Medicine in Neurodegeneration with Brain Iron Accumulation (NBIA) Disorders: An Update on Emerging Treatments

Movement Disorders Clinical Practice, EarlyView.
Abstract Background Neurodegeneration with Brain Iron Accumulation (NBIA) is a heterogeneous group of heritable, mostly recessive, progressive neurodegenerative diseases characterized by iron deposition in the basal ganglia and brainstem. There are no solid global epidemiological data on prevalence and incidence of NBIA subtypes, but registry data and ...
Susanne A. Schneider, Divyani Garg, Vassilena Iankova, Thomas Klopstock   +3 more
wiley   +1 more source

Rational design of allosteric inhibitors targeting C797S mutant EGFR in NSCLC: an integrative in silico and <i>in-vitro</i> study. [PDF]

Front Oncol
Wang J, Yuan F, Kendre M, He Z, Dong S, Patil A, Padvi K.   +6 more
europepmc   +1 more source

Artificial Intelligence for Identifying Tumor‐Reactive CD8+ T Cells: Biological Principles, Computational Advances, and Future Directions

Med Research, EarlyView.
This review details a three‐stage paradigm shift for tumor‐reactive CD8+ T‐cell identification: decoding transcriptomic states, deciphering clonal functional efficacy, and molecular‐level therapeutic TCR design. Addressing translational hurdles and generative AI “scientific blind spots”—such as missing catch bonds—we present a visionary roadmap.
Chao Yang, Yingying Sun, Yan Zhang, Yifen Shi, Zhiwen Shi   +4 more
wiley   +1 more source

Structural Impact of Ex Vivo Resistance Mutations on HIV-1 Integrase Polymers Induced by Allosteric Inhibitors. [PDF]

J Mol Biol
Montermoso S, Eilers G, Allen A, Sharp R, Hwang Y, Bushman FD, Gupta K, Duyne GV.   +7 more
europepmc   +1 more source