RoseTTAFold diffusion-guided short peptide design: a case study of binders against Keap1/Nrf2
In this study, we proposed a novel comprehensive computational framework that combines deep generative modeling with in silico peptide optimization to expedite the discovery of bioactive compounds. Our methodology utilizes RFdiffusion, a variation of the
Francesco Morena +3 more
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Introduction: Chronic obstructive pulmonary disease (COPD) represents a significant global health challenge, characterized by substantial morbidity and mortality rates. In traditional Chinese medicine (TCM), Farfarae Flos (FF) has been widely utilized as
Lin-Tao Xu +5 more
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SET and MYND Domain-Containing 2 (Smyd-2), a specific protein lysine methyltransferase (PKMT), influences both histones and non-histones. Its role in cerebral ischemia/reperfusion (CIR), particularly in ferroptosis—a regulated form of cell death driven ...
Daohang Liu, Yizhun Zhu
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Summary: Hemodynamic shear stress is a frictional force that acts on vascular endothelial cells and is essential for endothelial homeostasis. Physiological laminar shear stress (LSS) suppresses endothelial inflammation and protects arteries from ...
Ruoyu Wang, MM +6 more
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Aldose Reductase Defeciency Significantly Ameliorates Development of AngII-induced Hypertension in C57BL/6 mice [PDF]
背景醛糖还原酶(Aldosereductase,AR),作为山梨醇代谢通路(thepolyolpathway,PP)的限速酶,它的异常激活是导致糖尿病并发症的危险因素。先前的动物实验表明AR的抑制剂唑泊司他(zopolrestat)能显著预防糖尿病的并发症,而肾素-血管紧张素系统(therenin-angiotensinsystem/angiotensinII,RAS/AngII)控制水盐和血压平衡。但是,AR/PP与RAS/AngII之间是否存在相互作用并不清楚。在本论文中 ...
王光辉
core
Design, Synthesis, and Biological Evaluation of Naphthoquinone Salts as Anticancer Agents
The Warburg effect, a unique glycolytic phenomenon in cancer cells, presents a promising target for developing selective anticancer agents. Previously, BH10, a hit compound disrupting glycolytic metabolism, was identified via phenotypic screening, with ...
Yao Cheng +6 more
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ZJ01, a Small Molecule Inhibitor of the Kelch-Like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Protein-Protein Interaction, Reduces Hyperoxic Acute Lung Injury in a Mouse Model. [PDF]
Wan J +5 more
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Keap1 expression has independent prognostic value in pancreatic adenocarcinomas [PDF]
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Potential of rutin from <i>Rhizophora mucronata</i> leaves as a Inhibitor of Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2 related factor 2 Keap1/Nrf2): An <i>in silico</i> study for Alzheimer's therapy. [PDF]
Saputri LO +7 more
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