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...
Mechanistic Study of Traditional Chinese Medicine Compound Containing Ginseng Radix et Rhizoma in the Treatment of Colorectal Cancer [0.03%]
人参复方中药治疗结直肠癌的机制研究
Wei Yue,Liwen Zhang,Jiazhi Xu et al.
Wei Yue et al.
Introduction: Colorectal Cancer (CRC) is a prevalent gastrointestinal malignancy with complex pathogenesis involving genetic and epigenetic alterations and multi‑pathway dysregulation. Traditional Chinese Medicine (TCM) ...
DecoyFinderNetAna: Application of Graph Convolution Neural Networks for Accurate Classification of True Small Molecule Binders from their Decoys [0.03%]
用于从诱饵分子中准确分类真正的小分子结合物的图卷积神经网络的应用：DecoyFinderNetAna
Akshat Jha,Shreyansh Suyash,Manjusha Govindh et al.
Akshat Jha et al.
Introduction: The drug discovery pipeline faces significant challenges, often requiring extensive screening to differentiate between true ligands and decoys. Computational biology techniques, particularly those involving ...
Jinwei Guben Formula (Jinwei Formula II) Modulates Neutrophil Extracellular Trap Formation and Enhances Glucocorticoid Efficacy in COPD Through HDAC2 Regulation [0.03%]
金水健肺方调控中性粒细胞胞外陷阱形成及增强慢性阻塞性肺疾病糖皮质激素疗效的作用机制（II）：通过HDAC2表观遗传调控实现
Jianjun Wu,Wenjuan Zhang,Deyu Kong et al.
Jianjun Wu et al.
Introduction: Neutrophil extracellular traps (NETs) contribute to chronic inflammation in chronic obstructive pulmonary disease (COPD). Jinwei Guben Formula (JWGB) is a clinically used TCM for COPD, but its mechanism rega...