Access to the complete human genome sequence as well as to the complete sequences of pathogenic organisms provides information that can result in an avalanche of therapeutic targets. Structure-based design is one of the first techniques to be used in drug design. Structure based design refers specifically to finding and complementing the 3D structure (binding and/or active site) of a target mol...

With the 3D-structural information available today, additional aspects of the drug discovery process become predictable. Target-based virtual screening is being applied to identify new unexpected lead structures. Selectivity of compounds between homologous or orthologous proteins can be predicted, offering new possibilities to design selective compounds or predict the suitability of animal mode...

trial scientists have used the 3D atomic structures of proteins, derived mostly from macromolecular crystallographic studies, as design templates for small molecule ligands. In some cases, a targeted protein structure is used directly. In other cases, the template is a ‘homology model,’ based upon an experimental study of a structural homolog of the actual target. Here we look at the impact of ...

Conventional drug design embraces the "one gene, one drug, one disease" philosophy. Nowadays, new generation of anticancer drugs, able to inhibit more than one pathway, is believed to play a major role in contemporary anticancer drug research. In this way, polypharmacology, focusing on multi-target drugs, has emerged as a new paradigm in drug discovery. A number of recent successful drugs have ...

Hess and Shipley defined an invariant of coalgebra spectra called topological coHochschild homology, Bohmann–Gerhardt–Høgenhaven–Shipley–Ziegenhagen developed a coBökstedt spectral sequence to compute the homology $$\mathrm {coTHH}$$ for coalgebras over sphere spectrum. We construct relative study any commutative ring spectrum R. Further, we use algebraic structures in this complete some calcul...

Drug-dependent antibodies (DDAbs) can cause the precipitous destruction of platelets if a patient is exposed to the drug for which the antibodies are specific. The molecular character of the epitopes recognized is poorly understood, and the mechanism by which drugs promote tight binding of these antibodies to platelet glycoproteins without linking covalently to protein or antibody is not yet kn...

We prove that Khovanov homology detects the trefoils. Our proof incorporates an array of ideas in Floer and contact geometry. It uses open books; invariants we defined instanton setting; a bypass exact triangle sutured homology, proven here; Kronheimer Mrowka's spectral sequence relating with singular knot homology. As byproduct, also strengthen result Mrowka on $SU(2)$ representations group.

Drug-dependent antibodies (DDAbs) can cause precipitous destruction of platelets when a patient is exposed to the drug for which they are specific. The molecular character of the epitopes recognized is poorly understood and the mechanism by which drugs promote tight binding of these antibodies to platelet glycoproteins without linking covalently to protein or antibody is not yet known. We studi...

Patients with HIV-1 immune-related thrombocytopenia (HIV-1-ITP) have a unique Ab against platelet GPIIIa49-66 capable of inducing oxidative platelet fragmentation in the absence of complement. HIV-1-seropositive drug abusers are more prone to develop immune thrombocytopenia than non-drug abusers and have a higher coinfection with hepatitis C virus (HCV) than non-drug abusers (90% vs 30%). Molec...