Integrating Multi-omics, Mendelian Randomization, and Experimental Validation to Unveil the Role of Traditional Chinese Medicine in Postmenopausal Osteoporosis [0.03%]
整合多组学、孟德尔随机化和实验验证揭示中医药在绝经后骨质疏松症中发挥作用的作用机制
Hefang Xiao,Yaobin Wang,Yi Chen et al.
Hefang Xiao et al.
Introduction: Postmenopausal Osteoporosis (PMOP) is an age-related disease prevalent among elderly women, characterized by decreased bone density and increased fracture risk. This study investigates the mechanisms of trad...
From IPI-549 to Novel Compounds: A Novel Strategy Integrating 3D-QSAR, Scaffold Growth, Molecular Docking, and Molecular Dynamics Simulation in PI3Kγ Inhibitor Design [0.03%]
从IPI-549到新型化合物：结合三维定量结构活性关系、骨架跃迁、分子对接及分子动力学模拟整合的新型PI3Kγ抑制剂设计策略
Jingyu Zhu,Xiaolian Yu,Lei Jia et al.
Jingyu Zhu et al.
Introduction: Phosphoinositide-3-kinase gamma (PI3Kγ) has emerged as a valuable therapeutic target for various diseases. However, there is a notable scarcity of inhibitors that have advanced to clinical studies, highligh...
Mechanisms Underlying the Therapeutic Effects of GeXiaZhuYu Decoction Treating Colorectal Cancer based on Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations [0.03%]
基于网络药理学、分子对接及分子动力学模拟的化瘀方治疗肠癌的机制研究
Jiawen Li,Ziyu Xiao,Li Wang et al.
Jiawen Li et al.
Introduction: GeXiaZhuYu Decoction (GXZYD) has long been used in the context of Colorectal Cancer (CRC), yet its active constituents and associated molecular features remain incompletely characterized at the systems level...
Computational Studies on the Structures, Properties, and Pharmacodynamic Characteristics of Nirmatrelvir, its Analogs, and Related Compounds in Synthetic Pathways [0.03%]
尼马曲韦及其合成途径中相关化合物的结构、性质和药代动力学特征的计算研究
Qiang Dai,Yanni Wang,Hong Li et al.
Qiang Dai et al.
Introduction: The early COVID-19 pandemic underscored the urgent need for safe, effective antivirals. Methods: Thirty-three Nirmatrelvi...
Tri_PTM_DAAM_CNN: Tripterygium wilfordii Post-translational Modification with Density Adaptive Attention Mechanism and Convolutional Neural Networks [0.03%]
Tri_PTM_DAAM_CNN：具有密度自适应注意机制和卷积神经网络的雷公藤属植物蛋白修饰预测模型
Yingyue Tang,Baitong Chen,Wenzheng Bao
Yingyue Tang
Introduction: Identifying post-translational modification sites in Tripterygium wilfordii proteins was essential for understanding their pharmacological mechanisms. Traditional biological methods for this identification w...
Comparative Structural and Functional Analysis of Plasmodium Type II Nicotinamide Adenine Dinucleotide: Quinone Oxidoreductase and its Human Homologue, Apoptosis-Inducing Factor, Mitochondrion-associated 1 (AIF-M1) [0.03%]
疟原虫II型烟酰胺腺嘌呤二核苷酸：醌氧化还原酶与人类诱导凋亡因子线粒体相关蛋白1（AIF-M1）的结构和功能比较分析
Bertha Cinthia Baye,Vuyani Moses,Samuel Chima Ugbaja et al.
Bertha Cinthia Baye et al.
Introduction: Type II NADH: Quinone oxidoreductase (NDH2) represents a critical metabolic target in Plasmodium parasites. Although NDH2 lacks a direct human isoenzyme, it shares significant structural homology with human ...
Integrative Machine Learning and Network Pharmacology Approach to Uncover Phytochemical Therapeutics for Melanoma and Breast Cancer [0.03%]
整合机器学习和网络药理学方法揭示用于黑色素瘤和乳腺癌的植物化学治疗分子
Madhu Anabala,V Vanitha Jain,Deepak Sharma et al.
Madhu Anabala et al.
Introduction: Melanoma and Breast cancer are the leading cancers that cause thousands of deaths annually worldwide. Although several early identification methods and treatments are being used, they have limitations, such ...
Baihe Dihuang-Danshen Decoction in Myocardial Ischemia-reperfusion Injury: Network Pharmacology and Experimental Validation [0.03%]
基于网络药理学和实验验证的白合地黄丹参汤治疗心肌缺血再灌注损伤的作用机制研究
Ling Huang,Lei Zhang,Qiang Xu et al.
Ling Huang et al.
Introduction: Myocardial ischemia-reperfusion injury (MIRI) significantly impairs the prognosis of cardiac surgery. Baihe Dihuang-Danshen Decoction (BDDSD), a Chinese herbal formula, has shown efficacy against MIRI. This ...
Integrating Network Pharmacology, Molecular Dynamics, Machine Learning, and Animal Experiments to Decipher the Anti-fibrotic Mechanism of BI 1015550 in Idiopathic Pulmonary Fibrosis [0.03%]
基于网络药理学、分子动力学、机器学习和动物实验解码BI 1015550抗特发性肺纤维化作用机制
Liyuan Jiao,Caiqing Zhang
Liyuan Jiao
Introduction: Idiopathic Pulmonary Fibrosis (IPF) is a progressive and fatal lung disease with a poor prognosis. BI-1015550 is an oral phosphodiesterase 4B (PDE4B) inhibitor that has shown anti-inflammatory and anti-fibro...
The Mechanism of Buqi Jianzhong Decoction in Treating Hepatocellular Carcinoma via AI-assisted Network Pharmacology and Experimentation [0.03%]
基于人工智能网络药理学和实验研究的益气健中汤治疗肝癌的作用机制探讨
Long Qian,Zi-Fu Wang,Li He et al.
Long Qian et al.
Introduction: Hepatocellular carcinoma (HCC) is one of the deadliest cancers. Traditional Chinese medicine has been used as an adjuvant therapy for HCC. Buqi Jianzhong Decoction (BJD), a classic liver-soothing formula with an undefined mech...