The nuclear estrogen-related receptor ?(ERR?)plays a central role in the regulation of expression of the genes involved in mitochondrial biogenesis and oxidative metabolism.Small molecular ERR? agonis
2013 年6 月17 日,相关的国际组织宣布第41 届世界超级计算机(HPC)500 强排名,我国广州超算中心的天河-2 以峰值计算速度达到每秒5.49 亿亿次夺冠.一般认为:HPC 可以加快生物医药创新.我们的实验表明,采用分子动力学为基础的虚拟筛选(MDVS),HPC 可以显著加快生物医药创新.本文报告在天河-2 先导系统上进行的有关药物设计技术的最新进展,和将高效能计算落实到高效能药物发现
Protein-protein interactions(PPI)play a vital role in various biological processes.Small-molecule compounds targeting protein-protein interactions can be developed into drug candidates or used as chem
Human neutrophil elastase(HNE)has been identified as a potential therapeutic target for the discovery of anti-inflammatory drugs for decades.However,the HNE-targeting drug discovery has achieved littl
由RNA 病毒引起的流感(包括禽流感)、SARS、艾滋病、丙型肝炎等传染性疾病严重危害着人类的健康,主因是病毒基因复制的高突变率,使目前以抑制病毒复制过程为靶的抗病毒药物很快失去活性,也难产生有效疫苗。
Muscarinic M3 antagonists are widely used as bronchodilators for the treatment of chronic obstructive pulmonary disease(COPD).The marketed M3 antagonists tiotropium bromide and glycopyrrium bromide ar