The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …

Tyrosine, phenylalanine and tryptophan are the three aromatic amino acids (AAA) involved
in protein synthesis. These amino acids and their metabolism are linked to the synthesis of a …

Tuberculosis (TB) remains a serious threat to global public health, responsible for an
estimated 1.5 million mortalities in 2018. While there are available therapeutics for this …

Molecular imprinting is a facile method to create guest-complementary binding sites in a
cross-linked polymeric network. When performed within cross-linked micelles, the resulting …

In this study, we describe the development of new machine learning models to predict
inhibition of the enzyme 3‐dehydroquinate dehydratase (DHQD). This enzyme is the third …

Mycobacteria represent a group of pathogens which cause serious diseases in mammals,
including the lethal tuberculosis (Mycobacterium tuberculosis). Despite the mortality of this …

As microRNA silencing processes are mediated by the protein Argonaute 2 and for target
RNA binding only a short sequence at the microRNA's 5′ end (seed region) is crucial, we …

The loss of effectiveness of current antibiotics caused by the development of drug resistance
has become a severe threat to public health. Current widely used antibiotics are surprisingly …

Herein we report comparative binding energy (COMBINE) analyses to derive quantitative
structure–activity relationship (QSAR) models that help rationalize the determinants of …

We herein report the discovery of novel shikimic acid derivatives via Suzuki coupling and
Liebeskind–Srogl reaction. Fourteen compounds were synthesized and evaluated against …