Despite innumerable efforts to develop effective therapeutics, it is difficult to achieve
breakthrough treatments for Alzheimer's disease (AD), and the main reason is probably the …

Kinases have a crucial role in cell signaling and are important drug targets, given that
aberrant kinase activity has been linked to most disease areas. Therefore, kinase inhibitors …

Amoebiasis is produced by the parasite Entamoeba histolytica; this disease affects millions
of people throughout the world who may suffer from amoebic colitis or amoebic liver …

Computer-aided drug design (CADD) methodologies have proven to be very effective,
greatly enhancing the efficiency of small molecule drug discovery and development …

3-(4-(Benzo [d] thiazol-2-yl)-1-phenyl-1H-pyrazol-3-yl) phenyl acetate (DPB-5) is a synthetic
benzothiazole derivative. In the present study, we revealed that DPB-5 had strong …

Benzothiazoles are multitarget agents with broad spectrum of biological activity. 2-Acetyl-3-
(6-methoxybenzothiazo)-2-yl-amino-acrylonitrile (AMBAN) is a new synthetically prepared …

A new series of 4-anilinopyrimidines has been synthesized and evaluated as JNK1
inhibitors. SAR studies led to the discovery of potent JNK1 inhibitors with good enzymatic …

To discover new selective mechanism-based P450 inhibitors, eight 7-ethynylcoumarin
derivatives were prepared through a facile two-step synthetic route. Cytochrome P450 …

Thrombin is the most potent platelet aggregator. To discover the selective inhibitor of
thrombin that is important to curing platelet aggregation-related diseases, docking …

在新药发现过程中, 虚拟筛选的应用可以富集活性化合物, 降低筛选成本,
提高药物筛选的可行性, 因此已成为新药发现的重要方法. 虚拟筛选与生物活性筛选的结合 …