Phosphorylation is an essential process in biological events and is considered critical for
biological functions. In tissues, protein phosphorylation mainly occurs on tyrosine (Tyr) …

Increased incidence of type 2 diabetes mellitus and obesity has elevated the medical need
for new agents to treat these disease states. Resistance to the hormones insulin and leptin …

Motivation Drug discovery demands rapid quantification of compound–protein interaction
(CPI). However, there is a lack of methods that can predict compound–protein affinity from …

Motivation An essential part of drug discovery is the accurate prediction of the binding affinity
of new compound–protein pairs. Most of the standard computational methods assume that …

Appropriate tuning of binding selectivity is a primary objective in the discovery and
optimization of a compound on the path toward developing a drug. The environment in …

With the current access to the whole genomes of various organisms and the completion of
the first draft of the human genome, there is a strong need for a structure-function …

Homologous enzymes often exhibit different catalytic rates despite a fully conserved active
site. The canonical view is that an enzyme sequence defines its structure and function and …

Protein tyrosine phosphatase 1B (PTP1B) is an effective target for the treatment of both type
2 diabetes and obesity; however, targeting PTP1B for drug discovery is challenging because …

Obesity and type II diabetes are closely linked metabolic syndromes that afflict> 100 million
people worldwide. Although protein tyrosine phosphatase 1B (PTP1B) has emerged as a …

The aim of this review was to discuss an overview of type 2 diabetes; biology of PTP1B; role
of PTP1B in metabolic disorders; and recent updates in the development of PTP1B inhibitors …