Caspase-3: A primary target for natural and synthetic compounds for cancer therapy [0.03%]
Caspase-3：癌症治疗的天然和合成化合物的主要靶点
Poonam Yadav,Ramakant Yadav,Shweta Jain et al.
Poonam Yadav et al.
Caspases, a group of protease enzymes (cysteine proteases), exist as inactive zymogens in the cells and execute apoptosis (programmed cell death). Caspase-3, an executioner caspase, plays an imperative role in apoptosis and becomes a primar...
Discovery of novel SecA inhibitors against "Candidatus Liberibacter asiaticus" through virtual screening and biological evaluation [0.03%]
通过虚拟筛选和生物评价发现新型SecA抑制剂对抗“Candidatus Liberibacter asiaticus”
Zhengfang Zhang,Quan Han,Xiongxing Mao et al.
Zhengfang Zhang et al.
"Candidatus Liberibacter asiaticus" (Ca. L. asiaticus) is the causal agent of Huanglongbing disease of citrus and current study focuses on the discovery of novel small-molecule inhibitors against SecA protein of Ca. L. asiaticus. In this st...
3-O-trans-caffeoyloleanolic acid improves acute lung injury via anti-inflammation and antioxidative stress-involved PI3K/AKT pathway [0.03%]
3-O-咖啡酰奥利烷酸通过PI3K/AKT信号通路的抗炎抗氧化作用改善急性肺损伤
Jianhua Huang,Xueping Nong,Yanling Chen et al.
Jianhua Huang et al.
3-O-trans-caffeoyloleanolic acid (COA) is a pentacyclic triterpenoid compound, with significant anti-inflammatory effects. In this study, we report the protective effects of COA on lipopolysaccharide (LPS)-induced acute lung injury (ALI) an...
Molecular docking-guided synthesis of NSAID-glucosamine bioconjugates and their evaluation as COX-1/COX-2 inhibitors with potentially reduced gastric toxicity [0.03%]
基于分子对接的NSAIDs葡萄糖胺生物共轭物的合成及其作为COX-1/COX-2抑制剂（胃毒性降低）的研究
Rachel A Jones Lipinski,Yann Thillier,Christophe Morisseau et al.
Rachel A Jones Lipinski et al.
Non-steroidal anti-inflammatory drugs (NSAIDs) are a powerful class of inhibitors targeting two isoforms of the family of cyclooxygenase enzymes (COX-1 and COX-2). While NSAIDs are widely used in the management of pain, in particular as a t...
Design strategies, SAR, and mechanistic insight of Aurora kinase inhibitors in cancer [0.03%]
癌症中的aurora激酶抑制剂的设计策略、结构活性关系及机制研究
Kaksha Sankhe,Arati Prabhu,Tabassum Khan
Kaksha Sankhe
Aurora kinases (AURKs) are serine/threonine protein kinases that play a critical role during cell proliferation. Three isoforms of AURKs reported in mammals include AURKA, AURKB, AURKC, and all share a similar C-terminal catalytic domain wi...
Benzo[a]phenazine derivatives: Promising scaffolds to combat resistant Mycobacterium tuberculosis [0.03%]
苯并[a]吩嗪衍生物：对抗耐药性结核杆菌的有前景的骨架分子
Priscila Cristina Bartolomeu Halicki,Eufrânio Nunes da Silva Júnior,Guilherme Augusto de Melo Jardim et al.
Priscila Cristina Bartolomeu Halicki et al.
The continuous emergence of resistant Mycobacterium tuberculosis keeps tuberculosis (TB) treatment options still insufficient, and new therapeutic alternatives are urgently needed. Considering the antimycobacterial activity of phenazine der...
Design, synthesis, and antitumor activity evaluation of pretubulysin analogs [0.03%]
朴菊素类似物的设计、合成及抗肿瘤活性评价
Xiangrong Xu,Meixia Fan,Junhui Qi et al.
Xiangrong Xu et al.
Pretubulysin, a biosynthetic precursor of the tubulysins, shows potent biological activity in a variety of tumor cell lines. Although there are several total synthesis routes to tubulysin and pretubulysin reported, the commercialization sti...
Multiple interactions between melatonin and non-coding RNAs in cancer biology [0.03%]
褪黑素与非编码RNA在癌症生物学中的多种相互作用
Masomeh Maleki,Nafiseh Khelghati,Forough Alemi et al.
Masomeh Maleki et al.
The melatonin hormone secreted by the pineal gland is involved in physiological functions such as growth and maturation, circadian cycles, and biological activities including antioxidants, anti-tumor, and anti-ischemia. Melatonin not only i...
In silico identification and in vitro evaluation of a protein-protein interaction inhibitor of Escherichia coli fatty acid biosynthesis [0.03%]
链球菌脂肪酸生物合成蛋白质相互作用的计算机筛选和体外评价
Katherine Charov,Michael D Burkart
Katherine Charov
To combat the rise in antibiotic resistance, new targets must be identified and probes against them developed. Protein-protein interactions (PPI) of bacterial type II fatty acid biosynthesis (FAS-II) represent an untapped, yet rich area for...
Analysis of the binding modes of the first- and second-generation antiandrogens with respect to F876L mutation [0.03%]
第一代和第二代抗雄激素与FGFR3蛋白F876L突变相结合的方式分析
Guangfeng Shao,Jingxiao Bao,Xiaolin Pan et al.
Guangfeng Shao et al.
Androgen receptor (AR) is an important target for the treatment of prostate cancer, and mutations in the AR have an important impact on the resistance of existing drugs. In this work, we performed molecular dynamics simulations of the exist...