The natural product compounds CNP0456830 and CNP0467494 exhibited the lowest binding free energies for both EGFR and PIK3CA, identifying them as the most promising dual-target inhibitors.
Si-miao Lu, Yi Zhu, Yong-Tao Han et al.· Diseases of the esophagus· 0 citations
The Extra Trees Classifier consistently achieved the highest average accuracy and F1-score in both Gram type classification and species-level identification, demonstrating superior generalization across datasets.
Georgios Dolias, O. Bragina, Andres Udal et al.· Scientific Reports· 0 citations
PandaDock’s empirical scoring function ranks 8th of 25 methods evaluated, ahead of every AutoDock Vina and Vinardo configuration tested, while the GNN scores below Vina, consistent with the within-target ceiling identified on SAIR.
circDesign is presented, an algorithm that explicitly incorporates IRES structural deviation into circRNA sequence design while jointly optimizing codon adaptation and thermodynamic stability and establishes IRES structural preservation as a mechanistic design principle for circRNA engineering and position circDesign a...
Congcong Xu, F. Jiang, Yifan Jiang et al.· Angewandte Chemie· 0 citations
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This study illustrates how subtle residue-localized conformational bias can affect the overall protein conformational dynamics influencing protein-protein interactions that are important for cellular functions and related to diseases.
Abir Ben Bouzayene, M. Sai, Alexis Jouin et al.· Angewandte Chemie· 0 citations
It is suggested that bacterial START domains participate in a remarkably broad range of biological processes-including small-molecule binding, metabolic regulation, enzymatic catalysis, and stress adaptation-rather than traditional lipid transport.
Ece Aslan, Ksenia I. Lubova, Alexander Speer et al.· FEMS Microbiology Reviews· 0 citations
DmaxVgR gene silencing disrupted follicular architecture and reduced vitellogenin uptake by the oocytes, resulting in increased vitellogenin levels in the hemolymph suggest a feedback mechanism regulating YPP production.
F. O. Ramos, Jimena Leyria, M. Nouzová et al.· Insect Biochemistry and Mole...· 0 citations
A summary of recent literature pertaining to CFTR modulators is provided to enhance the knowledge of the growing body of evidence guiding the next era of CF care, in which disease modification at the molecular level is increasingly achievable.
Dawn Selhorst, E. Stekolchik· Respiratory care· 0 citations
It is proposed that MraW modification of 16S rRNA enhances translation efficiency in general, and that specific transcripts have evolved structural features that fine-tune protein levels that may be prevalent in bacteria which exhibit uncoupled transcription and translation.
Zachory M. Park, Christina R. Savage, Amanda R. Decker-Farrell et al.· Cell Reports· 0 citations
A stability study of small cold shock proteins from the Antarctic psychrophile Pseudoalteromonas haloplanktis, the mesophile Escherichia coli and the hyperthermophile Thermotoga maritima finds that cold unfolding appears as a new but unsuspected factor limiting life at low temperatures.
Lorenzo Grossi, Caroline Struvay, G. Feller· Biochimie· 0 citations
Developing sustainable, high-performance hydrocolloid packaging remains challenging because polysaccharide films are typically brittle and provide limited barrier protection. Here, we present a synergistic strategy combining distiller's grains prolamin (DGSP) and deep eutectic solvents (DES) to tailor the structure and...
Lin Deng, Haoyang Sun, Xiao-Meng Li et al.· Food Research International· 0 citations
Findings identify compound 9 as a promising multi-target quinoxaline-based agent with dual antiproliferative and anti-inflammatory activities, mediated through induction of mitochondrial apoptosis and modulation of oxidative stress and cytokine signaling pathways.
S. Alshawwa, Ghazi A. Bamagous, Hatem A. Sembawa et al.· RSC Advances· 0 citations
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
