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 …

The pharmacophore concept is a fundamental cornerstone in drug discovery, playing a
critical role in determining the success of in silico techniques, such as virtual screening and …

The GntR family of transcription factors (TFs) is a large group of proteins present in diverse
bacteria and regulating various biological processes. Here we use the comparative …

In our effort to develop selective sphingosine kinase-2 (SphK2) inhibitors as
pharmacological tools, a thiazolidine-2, 4-dione analogue, 3-(2-amino-ethyl)-5-[3-(4-butoxyl …

The inhibition of cysteine biosynthesis in prokaryotes and protozoa has been proposed to be
relevant for the development of antibiotics. Haemophilus influenzae O-acetylserine …

The bioactivity assessment of foodborne peptides is currently a research area of great
relevance, and, in particular, several studies are devoted to the antihypertensive effects …

Mycotoxins are secondary metabolites of fungi that contaminate food and feed, and are
involved in a series of foodborne illnesses and disorders in humans and animals. The …

Background There is a great interest in understanding and exploiting protein-protein
associations as new routes for treating human disease. However, these associations are …

O-acetylserine sulfhydrylase (OASS) catalyzes the synthesis of l-cysteine in the last step of
the reductive sulfate assimilation pathway in microorganisms. Its activity is inhibited by the …

The uptake and metabolism of N-acetylglucosamine (GlcNAc) in Bacillus subtilis is
controlled by NagR (formerly named YvoA), a member of the widely-occurring GntR/HutC …