Ye Wang

IL-36RN gene: key insights into its role in pediatric pustular psoriasis pathogenesis and treatment

Ye Wang, Mingyue Li, Changchun Hou, Y.-K. Wang et autres

Pediatric pustular psoriasis (PPP) is an autoimmune skin disease that seriously affects the physical and mental health of children. The IL-36RN (Interleukin-36 Receptor Antagonist) gene plays a key role in the pathogenesis of PPP. This review comprehensively elaborates on the research progress …

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Roles of RNAkines in regulating glucose homeostasis

Ye Wang, Jing Li, Chen‐Yu Zhang

Under physiological conditions, the body maintains glucose homeostasis through interorgan communication between metabolic organs. As is well known, this crosstalk is mediated by traditional hormones or metabolites. Recently, a new type of secreted factor called RNAkine has become increasingly prominent in regulating …

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Rhein inhibits M1 polarization of BV2 microglia through MAPK/IκB signalling pathway and reduces neurotoxicity caused by neuroinflammation

Xin Qin, Bowen Li, Binbin Hu, Juan Huang et autres

BACKGROUND: Rhein is an anthraquinone compound with anti-inflammatory pharmacological activity. It has been found to play a neuroprotective role in neurological diseases, but the neuroprotective mechanism of rhein remains unclear. METHODS: SH-SY5Y cells serving as neuron-like cells and BV2 microglia were used. …

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Sevoflurane-induced regulation of NKCC1/KCC2 phosphorylation through activation of Spak/OSR1 kinase and cognitive impairment in ischemia-reperfusion injury in rats

Y. Wang, Yuanyu Zhang, Wei Yu, Mengjuan Dong et autres

are controlled by KCC2 and NKCC1, which are cellular cotransporters for K+/Cl- and Na+/K+/Cl-, respectively. NKCC1/KCC2 is regulated by upstream regulators such as SPAK and OSR1, whose activity is influenced by I/R. Sevoflurane is the most commonly used and controversial general anesthetic. …

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ACEGEN: Reinforcement learning of generative chemical agents for drug discovery

Albert Bou, Morgan Thomas, Sebastian Dittert, Carles Navarro Ramírez et autres

In recent years, reinforcement learning (RL) has emerged as a valuable tool in drug design, offering the potential to propose and optimize molecules with desired properties. However, striking a balance between capabilities, flexibility, reliability, and efficiency remains challenging due to the complexity …

Recent advances in application of computer-aided drug design in anti-COVID-19 Virials Drug Discovery

Weiying Yang, Ye Wang, Dongfeng Han, Wenjing Tang

Corona Virus Disease 2019 (COVID-19) is a global pandemic epidemic caused by severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2), which poses a serious threat to human health worldwide and results in significant economic losses. With the continuous emergence of new virus …

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Machine Learning Methods as a Cost-Effective Alternative to Physics-Based Binding Free Energy Calculations

Nupur Bansal, Ye Wang, Simone Sciabola

The rank ordering of ligands remains one of the most attractive challenges in drug discovery. While physics-based in silico binding affinity methods dominate the field, they still have problems, which largely revolve around forcefield accuracy and sampling. Recent advances in machine learning …

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Research on Parameters of Multi-Energy Complementary Heating System Based on Multi-Objective Optimization

Ye Wang, Jie Zhou, Yanzhao Ma

Prospective Validation of Machine Learning Algorithms for Absorption, Distribution, Metabolism, and Excretion Prediction: An Industrial Perspective

Cheng Fang, Ye Wang, Richard Grater, Sudarshan Kapadnis et autres

Absorption, distribution, metabolism, and excretion (ADME), which collectively define the concentration profile of a drug at the site of action, are of critical importance to the success of a drug candidate. Recent advances in machine learning algorithms and the availability of larger …

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Three-way conflict analysis based on hybrid situation tables

Hai-Long Yang, Ye Wang, Zhi-Lian Guo

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A Transformer-based Generative Model for De Novo Molecular Design

Wenlu Wang, Ye Wang, Honggang Zhao, Simone Sciabola

In the scope of drug discovery, the molecular design aims to identify novel compounds from the chemical space where the potential drug-like molecules are estimated to be in the order of 10^60 - 10^100. Since this search task is computationally intractable due …

Spleen‐Targeted Glabridin‐Loaded Nanoparticles Regulate Polarization of Monocyte/Macrophage (Mo/Mφ) for the Treatment of Cerebral Ischemia‐Reperfusion Injury

Shiyong Li, Ye Wang, Miaojin Wu, Muhsin H. Younis et autres

Abstract During cerebral ischemia‐reperfusion (I‐R) injury, the infiltration of monocyte/macrophages (Mo/Mφ) into the ischemic penumbra causes inflammatory damage but also regulates tissue repair in the penumbra. The regulation and balance of Mo/Mφ polarization is considered as a potential therapeutic target for treating …

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