Mechanisms Underlying the Protective Effects of Obeticholic Acid-Activated FXR in Valproic Acid-Induced Hepatotoxicity via Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations [0.03%]
网络药理学、分子对接和分子动力学模拟下奥贝胆酸激活FXR抗丙戊酸钠致肝毒性的机制研究
Ya&#x;nan Chen,Jingkai Zhou,Shansen Xu et al.
Ya&#x;nan Chen et al.
Background: Valproic acid (VPA)-induced hepatotoxicity is among the most common and severe adverse drug reactions, limiting its clinical application. Recent studies have suggested that activating the farnesoid X receptor ...
Antidepressant Properties of a Four-compound Cocktail Identified from Si-Ni-San by HIF-1 Pathway Modulation [0.03%]
基于HIF-1信号途径探讨四味散抑制抑郁样行为的活性成分及其作用机制研究
Na An,Dongxing Zhang,Jile Xin et al.
Na An et al.
Background: Si-Ni-San (SNS) is the formula prescription of Traditional Chinese Medicine (TCM) with anti-depression properties, but its underlying mechanisms remain unclear. ...
3D-QSAR, Pharmacophore Modeling, ADMET, and DFT Studies of Halogenated Conjugated Dienones as Potent MAO-B Inhibitors [0.03%]
卤代共轭二烯酮类单胺氧化酶B抑制剂的三维定量结构活性关系，药效团模型，ADMET及密度泛函研究
Githa Elizabeth Mathew,Chonny Herrera-Acevedo,Marcus Tullius Scotti et al.
Githa Elizabeth Mathew et al.
Introduction: It has been reported that the extension of conjugation in chalcone scaffolds considerably enhanced the potency, selectivity, reversibility, and competitive mode of MAO-B inhibition. In this study, using the ...
Accelerating Rheumatoid Arthritis Drug Repurposing: A Computational Approach [0.03%]
加速类风湿关节炎药物再利用的计算方法
Muskan Gupta,Tuhin Mukherjee,Satyajit Mohanty
Muskan Gupta
Network Pharmacology, Molecular Docking and in vivo-based Analysis on the Effects of the MBZM-N-IBT for Arthritis [0.03%]
网络药理学、分子对接及基于体内模型的MBZM-N-IBT抗关节炎作用研究
Alok Kumar Moharana,Mahendra Gaur,Tapas Kumar Mohapatra et al.
Alok Kumar Moharana et al.
Introduction: Arthritis is the cause of morbidity associated with Chikungunya virus (CHIKV) infection. It persists even after the virus has been cleared from the body. MBZM-NIBT was earlier shown to inhibit (CHIKV) infect...
Design, Synthesis, and Biological and in silico Evaluation of Novel Indazole-pyridine Hybrids for the Treatment of Breast Cancer [0.03%]
设计、合成及生物和计算机辅助评估新型吲唑-吡啶杂化物用于乳腺癌治疗的研究
Ishan Panchal,Rati Kailash Prasad Tripathi,Mange Ram Yadav et al.
Ishan Panchal et al.
Introduction: The prevalence of breast cancer presents a substantial global health concern, underscoring the ongoing need for the development of inventive therapeutic remedies. ...
Design of New Aromatic Tertiary Amine-based as Butyrylcholinesterase Inhibitors Relying on Molecular Docking, ADME-Tox and Molecular Dynamics [0.03%]
基于分子对接、ADMET及分子动力学的丁卡因胆碱酯酶抑制剂的设计与合成
Abdelhamid Qara,Mohamed Ouabane,Chakib Sekkate et al.
Abdelhamid Qara et al.
Introduction: Butyrylcholinesterase (BChE) plays a pivotal role in the progression of Alzheimer's disease. Empirical research demonstrated a fundamental alteration in the role of BChE concerning the reduction of cholinerg...
miR-584-5p is a New Potential Prognostic Biomarker in Head and Neck Squamous Cell Carcinoma [0.03%]
miR-584-5p是头颈鳞癌新的潜在预后生物标志物
Donghong Yang,Guanbin Huang,Haiwen Li et al.
Donghong Yang et al.
Background: MicroRNA-584-5p (miR-584-5p) plays an important role in certain types of cancer. However, its precise role in head and neck squamous cell carcinoma (HNSC) remains unknown. ...
Network Pharmacology and Molecular Docking Integrated with Molecular Dynamics Simulations Investigate the Pharmacological Mechanism of Yinchenhao Decoction in the Treatment of Non-alcoholic Fatty Liver Disease [0.03%]
网络药理学和分子对接结合分子动力学模拟探究茵陈蒿汤治疗非酒精性脂肪肝病的药理机制
Rong Yang,Dansheng Jiang,Hongling Xu et al.
Rong Yang et al.
Background: Non-Alcoholic Fatty Liver Disease (NAFLD) has become a significant health and economic burden globally. Yinchenhao decoction (YCHD) is a traditional Chinese medicine formula that has been validated to exert th...
Identification of Potent SFRP1 Inhibitors for Colorectal Cancer using a Comprehensive Computational Approach [0.03%]
基于全面的计算方法识别出有效的SFRP1抑制剂用于结直肠癌治疗
Muralidharan Jothimani,Sivakumar Vijayaraghavalu,Karthik Sadasivam et al.
Muralidharan Jothimani et al.
Background: The incidence of CRC has increased worldwide over the past decade. The statistics report from WHO highlights the increased severity and fatality rate of CRC among the populations. Wnt/β-catenin is recognized ...