helicobacter pylori :28 µg/ml).   (h. pylori) infection leads to different clinical and pathological outcomes in humans, including chronic gastritis, peptic ulcer disease and gastric neoplasia and even gastric cancer and its eradiation dependst upon multi-drug therapy. the most effective therapy is still unknown and prompts people to make great efforts to find better and more modern natural or ...

During the process of drug discovery, INPHARMA can be used to derive the structure of receptor/lead compound complexes binding to each other with a K(d) in the microM to mM range. To be successful, the methodology needs adjustment of various parameters that depend on the physical constants of the binding event and on the receptor size. Here we present a thorough theoretical analysis of the INPH...

Fragment-based drug discovery (FBDD) is complementary to high-throughput screening. The approach has two key stages: identifying the starting fragment hit to be developed and generating the lead compound from the starting fragment hit. Here, we provide an overview of FBDD and introduce two indices originally developed at Astellas Pharma. The first is related to the size ratio of fragment hits t...

Introduction We investigate discovery in pharmacology by following and analyzing the progress of research on drugs for Parkinson’s disease at our local pharmacology department. In pharmacology research detailed knowledge of biological processes is used to provide a rationale for a desired biological activity of a drug. This desired activity should cause a decrease in disease symptoms and is cal...

A potent, small molecule inhibitor with a favorable pharmacokinetic profile to allow for sustained SCD inhibition in vivo was identified. Starting from a low MW acyl guanidine (5a), identified with a RapidFire HighThroughput Mass Spectrometry (RF-MS) assay, iterative library design was used to rapidly probe the amide and tail regions of the molecule. Singleton synthesis was used to probe core c...

Kinomics is an emerging and promising approach for deciphering kinomes. Chemical kinomics is a discipline of chemical genomics that is also referred to as "chemogenomics", which is derived from chemistry and biology. Chemical kinomics has become a powerful approach to decipher complicated phosphorylation-based cellular signaling networks with the aid of small molecules that modulate kinase func...

Medicinal chemists' "intuition" is critical for success in modern drug discovery. Early in the discovery process, chemists select a subset of compounds for further research, often from many viable candidates. These decisions determine the success of a discovery campaign, and ultimately what kind of drugs are developed and marketed to the public. Surprisingly little is known about the cognitive ...