Alzheimer’s disease (AD) as a complicated and progressive neurodegenerative disorder is the most common form of dementia and memory loss. On account of the multifactorial etiology of AD, the multi-target-directed ligand (MTDL) approach is a promising method in searching new drug candidates for this disease. Here, in this paper more than 500 tacrine-coumarin hybrids have been designed and drug-l...

Alzheimer’s disease (AD) as a complicated and progressive neurodegenerative disorder is the most common form of dementia and memory loss. On account of the multifactorial etiology of AD, the multi-target-directed ligand (MTDL) approach is a promising method in searching new drug candidates for this disease. Here, in this paper more than 500 tacrine-coumarin hybrids have been designed and drug-l...

Dichloroacetate (DCA) is a simple and small anticancer drug that arouses the activity of the enzyme pyruvate dehydrogenase (PDH) through inhibition of the enzyme pyruvate dehydrogenase kinases (PDK1-4). DCA can selectively promote mitochondria-regulated apoptosis, depolarizing the hyperpolarized inner mitochondrial membrane potential to normal levels, inhibit tumor growth and reduce proliferati...

Dichloroacetate (DCA) is a simple and small anticancer drug that arouses the activity of the enzyme pyruvate dehydrogenase (PDH) through inhibition of the enzyme pyruvate dehydrogenase kinases (PDK1-4). DCA can selectively promote mitochondria-regulated apoptosis, depolarizing the hyperpolarized inner mitochondrial membrane potential to normal levels, inhibit tumor growth and reduce proliferati...

In this study, we developed a new pharmacophore-based interaction fingerprint (Pharm-IF) and examined its usefulness for in silico screening using machine learning techniques such as support vector machine (SVM) and random forest (RF) instead of similarity-based ranking. Using the docking results of PKA, SRC, cathepsin K, carbonic anhydrase II, and HIV-1 protease, the screening efficiencies of ...

A method for the simultaneous measurement of velocity and passive scalar concentration fields by means of particle image velocimetry (PIV) and planar laser induced florescence (PLIF) techniques is described here. An application of the combined PIV-PLIF system is demonstrated by performing simultaneous velocity and concentration measurements in the near field of a turbulent jet mixing flow. The ...