Big Data bring new opportunities to modern society and challenges to data scientists. On the
one hand, Big Data hold great promises for discovering subtle population patterns and …

Computational (in silico) methods have been developed and widely applied to
pharmacology hypothesis development and testing. These in silico methods include …

Microbes are hardly seen as planktonic species and are most commonly found as biofilm
communities in cases of chronic infections. Biofilms are regarded as a biological condition …

Matrix metalloproteinases (MMPs) are identifiable members of proteolytic enzymes that can
degrade a wide range of proteins in the extracellular matrix (ECM). MMPs can be …

Although immunomodulatory drugs (IMiDs), such as thalidomide, lenalidomide, and
pomalidomide, are widely used in the treatment of multiple myeloma (MM), the molecular …

Rubia cordifolia L.(Rubiaceae), one of the traditional anti-rheumatic herbal medicines in
China, has been used to treat rheumatoid arthritis (RA) since ancient times. Purpurin, an …

The residue after sieving (“dust”) from the willow gentian underground parts is an
unexploited herbal tea by-product, although it contains valuable bioactive compounds …

A total of 142 matrix metalloproteinase (MMP) X-ray crystallographic structures were
retrieved from the Protein Data Bank (PDB) and analyzed by an automated and efficient …

Secoiridoids are bioactive compounds, which are present in plants and exhibit anti-
inflammatory activity. In this work, to understand the structural basis of five secoiridoids; …

During these last 15 years, drug discovery strategies have essentially focused on identifying
small molecules able to inhibit catalytic sites. However, other mechanisms could be …