The Critical Role of Inhibitor of Differentiation 4 in Breast Cancer: From Mammary Gland Development to Tumor Progression by Yuhang Song, Panshi Zhang, Sudhanshu Bhushan, Xinhong Wu, Hongmei Zheng, Yalong Yang

“…ABSTRACT Inhibitor of differentiation 4 (ID4) is a highly conserved DNA‐binding inhibitory protein of mammals, and its main role is to bind basic helix–loop–helix (b‐HLH) so that it loses its DNA‐binding activity, which in turn regulates the transcription of key genes, regulating cell differentiation and proliferation as the physiological function. …”
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Fast product release requires active-site water dynamics in carbonic anhydrase by Jin Kyun Kim, Seon Woo Lim, Hannah Jeong, Cheol Lee, Seoyoon Kim, Dong Woo Son, Rajeev Kumar, Jacob T. Andring, Carrie Lomelino, Jennifer L. Wierman, Aina E. Cohen, Tae Joo Shin, Cheol-Min Ghim, Robert McKenna, Byung Hoon Jo, Duyoung Min, Jeong-Mo Choi, Chae Un Kim

“…In the catalytic pathway, we identify an unexpected configuration in product binding and correlate it with sub-nanosecond rearrangement of active-site water. …”
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Novel, soluble 3-heteroaryl-substituted tanshinone mimics attenuate the inflammatory response in murine macrophages by Elisa Facen, Giulia Assoni, Greta Donati, Dalila Paladino, Agata Carreira, Isabelle Bonomo, Valeria La Pietra, Roberta Lotti, Josef Houser, Luca L. Fava, Pierfausto Seneci, Luciana Marinelli, Daniela Arosio, Alessandro Provenzani

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Electro-activated indigos intensify ampere-level CO2 reduction to CO on silver catalysts by Zhengyuan Li, Xing Li, Ruoyu Wang, Astrid Campos Mata, Carter S. Gerke, Shuting Xiang, Anmol Mathur, Lingyu Zhang, Dian-Zhao Lin, Tianchen Li, Krish N. Jayarapu, Andong Liu, Lavanya Gupta, Anatoly I. Frenkel, V. Sara Thoi, Pulickel M. Ajayan, Soumyabrata Roy, Yuanyue Liu, Yayuan Liu

“…Indigo derivatives with electron-withdrawing groups further reduce the overpotential for CO production upon optimizing the interfacial CO2 binding affinity. By integrating the molecular design of redox-active centres with the defect engineering of Ag structures, we achieve a Faradaic efficiency for CO exceeding 90% across a current density range of 0.10 − 1.20 A cm–2. …”
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In silico target identification and pharmacokinetic profiling of 2-aryl-quinoline-4-carboxylic acid derivatives as potential antileishmanial agents by Marília Cecília da Silva, Jéssika de Oliveira Viana, Tayná Rodrigues Olegário, Jayne Maria Sabino, Euzébio Guimarães Barbosa, Elton José Ferreira Chaves, Gerd Bruno Rocha, Claudio Gabriel Lima-Junior, Karen Cacilda Weber

“…Ligand-based similarity search confirmed the superior predicted binding affinity of the studied compounds compared to known molecules. …”
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Enzyme-instructed self-assembled supramolecular bi-antibodies for inhibition and imaging of atherosclerosis progression by Shuang Bian, Yangang Zhu, Nanxin Zhao, Yanchen Wang, Zhimou Yang, Jingjing Li

“…Coupling with its specific imaging capability, it may provide new approaches for the integrated design of diagnosis and treatment of AS.…”
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Identification of novel compounds against Trypanosoma cruzi using AlphaFold structures by Albert Ros-Lucas, Alejandra Saeteros, Juan Carlos Gabaldón-Figueira, Nieves Martínez-Peinado, Elisa Escabia, Joaquim Gascón, Julio Alonso-Padilla

“…These compounds were predicted to target previously uncharacterized T. cruzi proteins, ledipasvir interacting with a calpain-like protein and pimecrolimus likely binding a mitotic cyclin. Molecular dynamics simulations showed that pimecrolimus remains stable in the predicted binding site, while ledipasvir exhibits a higher RMSD. …”
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Oral Small-Molecule GLP-1 Receptor Agonists: Mechanistic Insights and Emerging Therapeutic Strategies by Héctor Iván Saldívar-Cerón, Jorge Arturo Vargas-Camacho, Sonia León-Cabrera, Paola Briseño-Díaz, Ari Evelyn Castañeda-Ramírez, Axel Eduardo Muciño-Galicia, María Regina Díaz-Domínguez

“…Nevertheless, challenges persist regarding hepatic safety, pharmacodynamic variability, and limited long-term outcome data. This review integrates current structural, pharmacological, and clinical evidence, highlights key mechanistic innovations—including biased agonism, covalent binding strategies, and allosteric modulation—and discusses future directions for this rapidly evolving therapeutic class in metabolic disease management.…”
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A conserved fungal effector disturbs Ca2+ sensing and ROS homeostasis to induce plant cell death by Yunlong Lin, Chan Xu, Lili Li, Liqin Fan, Rui Li, Jiaxin He, Hongli Li, Wei Deng, Zhensheng Kang, Zhengguo Li, Yulin Cheng

“…Hsp70 is a bona fide target of CaM and its CaM-binding domain also interacts with N-terminal PdCDIE1. …”
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Development and validation of a recombinant human TNF-α based ELISA to detect and quantify adalimumab by Dinesh Kumar Saini, Manjunath S. Devaramani, Hemalakshmi Shanmugavel, Syeda Zuhin Tabassum, Kiran Kumar Mudnakudu-Nagaraju, Jalahalli Mariswamy Siddesha, Radhakrishna Shetty

“…Initially, surface plasma resonance showed acceptable binding kinetics (KD) of 2.38x10−07 nM for adalimumab. …”
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Revealing the impact of gut microbiota-derived metabolites on depression through network pharmacology by Si Su, Tengarile A, Ruhan A, Riga Wu, Lisi Wei, La Ta, Wenfeng Huo, Lijun Tong, Jing Zhang, Rilebagen Hu, Li Li

“…Molecular docking confirmed the stable binding of two key metabolites—succinate and phenylacetylglutamine—to their respective targets. …”
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From Ancient Techniques to Modern Solutions: In Situ Synthesis of C‐S‐H for Sandstone Conservation by Mengjun Jia, Huimin Yan, Qingqing Xu, Celestino Grifa, Gang Zhao, Siwei Jiang, Jinhua Wang, Zhenhua Wei, Han Liu, Xiao Ma

“…Laboratory‐scale experiments confirm its excellent compatibility with sandstone, offering a potential effective grouting solution for the Beishan Grottoes and emphasizing the importance of material compatibility in heritage conservation. This integrated approach encompassing materials design, synthesis, characterization, and interfacial analysis, presents a robust framework for developing tailored binding agents for various applications.…”
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Dietary supplementation with nano-zinc modulates the expression of the antiviral immune gene IRF3: a novel report by Amrita Tah, Aruna Pal, Paresh Nath Chatterjee, Debasis De, Achinta Mahato, Argha Chakraborty, Manti Debnath, Sovan Roy

“…The IRF3 gene was chosen as a molecular marker for antiviral assessment, which has different integral zinc binding sites. For the first time, we have characterized the IRF3 gene in C. chanos and discovered certain important domains as zinc binding sites, as well as other important domains related to antiviral activity, such as the serine protease NS3 activity and the interferon regulatory factor (IRF) tryptophan pentad repeat domain. …”
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Study on the regulatory mechanism of NsdAsr on rimocidin biosynthesis in Streptomyces rimosus M527 by Yawen Xie, Yujie Jiang, Yongyong Zhang, Andreas Bechthold, Xiaoping Yu, Zheng Ma

“…In the case of rpoB, the results indicated that NsdAsr binding led to a downregulation of overall protein levels. …”
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A novel one-pot microwave assisted green synthesis of pyridinyl-1,3,5-triazine-2,4-diamine hybrids as potent antimicrobial agents by Omniya Sayed Zaky, Mohamed Hisham, Mohamed Abd-Elmonem, Ramadan Yahia, Laila Abdulmohsen Jaragh-Alhadad, Ramadan Ahmed Mekheimer, Gamal El-Din A. Abuo-Rahma, Moustafa Sherief Moustafa, Manal Makboul Ebied, Kamal Usef Sadek

“…Molecular dynamics simulations of the 6 g-urease complex over 25 ns demonstrated stable ligand binding, minimal structural perturbations, and strong interactions with key active site residues, confirming the complex's stability and integrity. …”
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The facilitating effects of KRT80 on chemoresistance, lipogenesis, and invasion of esophageal cancer by Wen-Jing Yun, Jun Li, Nan-Chang Yin, Cong-Yu Zhang, Zheng-Guo Cui, Li Zhang, Hua-Chuan Zheng

“…KRT-80-related genes were classified into endocytosis, cell adhesion molecule binding, cadherin binding, cell–cell junction, cell leading edge, epidermal cell differentiation and development, T cell differentiation and receptor complex, plasma membrane receptor complex, external side of plasma membrane, metabolism of amino acids and catabolism of small molecules, and so forth (p < .05). …”
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SIRT1/DNMT3B-mediated epigenetic gene silencing in response to phytoestrogens in mammary epithelial cells by Yuexi Ma, Cayla Boycott, Jiaxi Zhang, Rekha Gomilar, Tony Yang, Barbara Stefanska

“…We performed an integrated analysis of genome-wide DNA methylation and expression datasets in normal cells and healthy animals exposed to polyphenols with estrogenic activity (i.e. phytoestrogens). …”
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Molecular mechanisms of diquat-induced brain injury: Insights from network toxicology and single-cell RNA sequencing by Minqi Qiu, Duo Zhao, Huahao Lin, Jinmin Zhao

“…Finally, molecular docking was performed to validate the binding affinity between DQ and the core targets. …”
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In vitro and in silico Anti-diabetes mechanism of phytochemicals from Curculigo pilosa and its pharmacokinetic profiling via α-amylase inhibition by Damilola A. Omoboyowa, Temitope C. Aribigbola, Simbo T. Akinsulure, Damilola S. Bodun, Ezekiel A. Olugbogi, Ebenezer A. Oni

“…Acarbose was observed to possess better binding affinity (−11.502 kcal/mol) than all the compounds but curculigoside was the hit compound with binding affinity of −8.797 kcal/mol. …”
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Exercise-induced methylation of the Serhl2 promoter and implication for lipid metabolism in rat skeletal muscle by Mutsumi Katayama, Kazuhiro Nomura, Jonathan M. Mudry, Alexander V. Chibalin, Anna Krook, Juleen R. Zierath

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