Novel hydrazone schiff's base derivatives of polyhydroquinoline: synthesis, in vitro prolyl oligopeptidase inhibitory activity and their Molecular docking study [0.03%]
聚羟基喹啉的新腙施莱氏碱衍生物：合成，体外脯氨酰寡肽酶抑制活性及分子对接研究
Faiz Talab,Aftab Alam,Zainab et al.
Faiz Talab et al.
This research work reports the synthesis of new derivatives of the hydrazone Schiff bases (1-17) based on polyhydroquinoline nucleus through multistep reactions. HR-ESIMS,1H- and 13C-NMR spectroscopy were used to structurally infer all of t...
Network pharmacology integrated molecular docking of fucoidan against oral cancer and in vitro evaluation- A study using GEO datasets [0.03%]
整合网络药理学与分子对接研究硫酸软骨素对抗口腔癌的效果及体外评估-使用GEO数据集的研究
Arul Jayanthi Antonisamy,Karthikeyan Rajendran,Premnath Dhanaraj
Arul Jayanthi Antonisamy
Oral cancer is a widespread health concern in rural India due to a lack of awareness, delayed diagnosis and limited access to affordable treatment options. The current chemotherapy has notable side effects, underscoring the need for new dru...
Investigating the impact of inflammatory response-related genes on renal fibrosis diagnosis: a machine learning-based study with experimental validation [0.03%]
探究炎症反应相关基因对肾纤维化诊断的影响：一项基于机器学习并经实验验证的研究
Ziwei Yuan,Xuejia Yang,Zujian Hu et al.
Ziwei Yuan et al.
Renal fibrosis plays a crucial role in the progression of renal diseases, yet the lack of effective diagnostic markers poses challenges in scientific and clinical practices. In this study, we employed machine learning techniques to identify...
Effect of glycation-induced concentration-dependent change in albumin structure and alteration in its binding capacity [0.03%]
甘基化引起的浓度依赖性白蛋白结构变化及结合能力的改变效应
Kailas Sonpasare,Dimple S Lalchandani,Laltanpuii Chenkual et al.
Kailas Sonpasare et al.
Reducing sugars causes confirmatory alterations in albumin structure by the nonenzymatic glycation of the amino group of serum albumin. In this study, glucose and its hazardous metabolic products like glyoxal and methylglyoxal were incubate...
Integrating network pharmacology, molecular docking and simulation approaches with machine learning reveals the multi-target pharmacological mechanism of Berberis integerrima against diabetic nephropathy [0.03%]
网络药理学、分子对接和模拟与机器学习的结合揭示了黄连木多靶标对抗糖尿病肾病的药理机制
Xueqin Zhang,Peng Chao,Lei Zhang et al.
Xueqin Zhang et al.
Diabetic nephropathy (DN) is one of the most feared complications of diabetes and key cause of end-stage renal disease (ESRD). Berberis integerrima has been widely used to treat diabetic complications, but exact molecular mechanism is yet t...
Computational assessment of marine natural products as LasR inhibitors for attenuating quorum sensing in Pseudomonas aeruginosa [0.03%]
计算评估海洋天然产物作为LasR抑制剂以削弱铜绿假单胞菌中的群体感应作用的能力
Siva Singothu,Vasundhra Bhandari
Siva Singothu
The Quorum Sensing (QS) system in bacteria has become a focal point for researchers aiming to develop novel antimicrobials to combat multidrug-resistant bacteria. Pseudomonas aeruginosa, an opportunistic Gram-negative bacterium, has develop...
Structural dynamics of influenza A (H1N1) hemagglutinin protein: a comparative study of Indian (2018) isolate with its evolutionary neighbor, Californian (2009) strain [0.03%]
甲型(H1N1)流感病毒血凝素蛋白的结构动力学：印度(2018)分离株与进化近邻--加利福尼亚(2009)株的比较研究
Shilpa Sri Pushan,Mahesh Samantaray,Muthukumaran Rajagopalan et al.
Shilpa Sri Pushan et al.
This work highlights the structure and dynamics of two trimeric HA proteins of the H1N1 virus from different origins, the pandemic Californian (HACal) and its closest Indian neighbor (HAInd), reported in 2009 and 2018, respectively. Because...
Identification of phytocompounds as potent inhibitors of sodium/glucose cotransporter-2 leading to diabetes treatment [0.03%]
作为钠/葡萄糖同向转运蛋白-2的强效抑制剂的植物化合物的鉴定及其对糖尿病治疗的研究
Ananta Swargiary,Manita Daimari,Arup Swargiary et al.
Ananta Swargiary et al.
Type-II diabetes, a major metabolic disorder has threatened the very existence of a healthy life since long ago. Commercially available antidiabetic drugs are known for several adverse effects. The present study attempted to identify potent...
Machine learning and molecular simulation-based protocols to identify novel potential inhibitors for reverse transcriptase against HIV infections [0.03%]
基于机器学习和分子模拟识别新型HIV逆转录酶抑制剂的方案
Muhammad Shahab,Guojun Zheng,Yousef A Bin Jardan et al.
Muhammad Shahab et al.
Acquired immunodeficiency syndrome (AIDS) is a potentially fatal condition affecting the human immune system, which is attributed to the human immunodeficiency virus (HIV). The suppression of reverse transcriptase activity is a promising an...
Biochemical and in silico analysis of the binding mode of erastin with tubulin [0.03%]
厄洛星与微管蛋白结合方式的生化和计算机模拟分析
Gudapureddy Radha,Pratyush Pragyandipta,Pradeep Kumar Naik et al.
Gudapureddy Radha et al.
Erastin (ERN) is a small molecule that induces different forms of cell death. For example, it has been reported to induce ferroptosis by disrupting tubulin subunits that maintain the voltage-dependent anion channels (VDACs) of mitochondria....