Histone dacetylases (HDACs) are a group of enzymes that remove acetyl groups from
histones and regulate expression of tumor suppressor genes. They are implicated in many …

Highlights•Currently, developing a market-approved drug costs a staggering $2.6 billion.•In
silico methods have become an important strategy for narrowing down on promising lead …

The value of thoroughly understanding the thermodynamics specific to a drug
discovery/design study is well known. Over the past decade, the crucial roles of water …

Histone Deacetylase (HDAC) inhibitors are a relatively new class of anti-cancer agents that
play important roles in epigenetic or non-epigenetic regulation, inducing death, apoptosis …

Around three million patients die due to airway inflammatory diseases each year. The most
notable of these diseases are asthma and chronic obstructive pulmonary disease (COPD) …

Introduction Drug–target thermodynamic and kinetic information have perennially important
roles in drug design. The prediction of protein–ligand unbinding, which can provide …

Highlights•This review covers the flexibility events occurring within the human zinc-
dependent HDACs.•The therapeutic importance of the discovery of new HDAC modulators is …

A series of potent inhibitors of histone deacetylase-8 (HDAC8) is described that contains an
α-amino amide zinc-binding unit and a substituted isoindolinyl capping group. The presence …

Epigenetic pathways are involved in a wide range of diseases, including cancer and
neurological disorders. Specifically, histone modifying and reading processes are the most …

Abstract Cytochrome P450 OleT JE has attracted much attention for its ability to catalyze the
decarboxylation of long chain fatty acids to generate alkenes, which are not only biofuel …