Generating a pharmacophore is often the first step towards understanding the interactions
between a receptor and a ligand and can be pivotal to a successful drug discovery project …

Protein tyrosine phosphatase 1B (PTP1B) is emerging as a promising yet challenging target
for drug discovery. To identify natural products as new prototypes for PTP1B inhibitors, we …

With the incidence of neurodevelopmental disorders on the rise, it is imperative to screen
and evaluate developmental neurotoxicity (DNT) compounds from a large number of …

Aims Cyclin-dependent kinase 9 (CDK9) is a member of the CDK subfamily and plays a
major role in the regulation of transcriptional elongation. It has attracted widespread …

Context Cyclin-dependent kinase 9 (CDK9) plays a significant role in gene regulation and
RNA polymerase II transcription under basal and stimulated conditions. The upregulation of …

Mesenchymal epithelial transition factor (c-Met) is an attractive target for cancer therapy.
Three-dimensional pharmacophore hypotheses were built based on a set of known …

In recent years, numerous changes have been made in the field of cancer research with the
progresses of molecular biology, chemoinformatics and chemogenomics. Several new …

Metalloenzymes are ubiquitously present in the human body and are relevant to a variety of
diseases. However, the development of metalloenzyme inhibitors is limited by low specificity …

Selective inhibition of cyclin-dependent kinase 8 (CDK8) has been recently regarded as a
potential approach for cancer therapy. A series of novel CDK8 inhibitors with the pyridine …

Cyclin-dependent kinases (CDKs) are pivotal kinases in cell cycle transition and gene
transcription. A series of N2, N4-diphenylpyrimidine-2, 4-diamines were previously identified …