Pharmacophores can be defined in a number of ways [1, 2]. From a physical standpoint a pharmacophore is a collection of electronic and steric features of a molecule that allow it to exhibit activity against a given biological target. More specifically, a pharmacophore can be defined by a set of atoms and various geometric (distances, angles, torsions) relationships between them. The pharmacopho...

Membranes with immobilized GM3-type oligosaccharide were prepared and influenza virus adsorption was evaluated. GM3-type oligosaccharide which has azido group in the aglycon was synthesized by saccharide primer method. The azido group was used for combination by click chemistry with alkyne which is introduced to membranes. The position of the azido group in the aglycon of GM3-type oligosacchari...

Pharmacophore approaches have become one of the major tools in drug discovery after the past century's development. Various ligand-based and structure-based methods have been developed for improved pharmacophore modeling and have been successfully and extensively applied in virtual screening, de novo design and lead optimization. Despite these successes, pharmacophore approaches have not reache...

We demonstrate that personal connections amongst U.S. politicians have a significant impact on Senate voting behavior. Networks based on alumni connections between politicians are consistent predictors of voting behavior. We estimate sharp measures that control for common characteristics of the network, as well as heterogeneous impacts of a common network characteristic across votes. We find th...

Pharmacophore-based virtual screening is an effective, inexpensive and fast approach to discovering useful starting points for drug discovery. In this study, we developed a pharmacophore model for the main proteinase of severe acute respiratory syndrome coronavirus (SARS-CoV). Then we used this pharmacophore model to search NCI 3D database including 250, 251 compounds and identified 30 existing...

Crystal structures were obtained for the two C2 epimeric azido-γ-lactones 2-azido-2-deoxy-3,5:6,7-di-O-isopropylidene-d-glycero-d-ido-heptono-1,4-lactone and 2-azido-2-deoxy-3,5:6,7-di-O-isopropylidene-d-glycero-d-gulo-heptono-1,4-lactone prepared from kinetic and thermodynamic azide displacements of a triflate derived from d-glucoheptonolactone. Azido-γ-lactones are very useful intermediates i...

Nucleophilic transformations of azido-containing carbonyl compounds are disclosed. The phosphazide formation from azides enabled groups with nucleophiles.

This review paper covers the major synthetic approaches attempted towards the synthesis of α-azido ketones, as well as the synthetic applications/consecutive reactions of α-azido ketones.

Chemical feature based pharmacophore models were generated for Toll-like receptors 7 (TLR7) agonists using HypoGen algorithm, which is implemented in the Discovery Studio software. Several methods tools used in validation of pharmacophore model were presented. The first hypothesis Hypo1 was considered to be the best pharmacophore model, which consists of four features: one hydrogen bond accepto...