Dicoumarol, a symmetrical biscoumarin can be considered as the “parent” of the widely
used anticoagulant drug, warfarin. The discovery of dicoumarol's bioactive properties …

CO2 is a representative greenhouse gas (GHG), and the Paris Agreement adopted by
consensus on 12 December 2015 mandates worldwide reduction of CO2 emissions by 80 …

Protein fold adaptation to novel enzymatic reactions is a fundamental evolutionary process.
Cofactor-independent oxygenases degrading N-heteroaromatic substrates belong to the α/β …

We present a systematic study of the decarboxylation step of the enzyme aspartate
decarboxylase with the purpose of assessing the quantum chemical cluster approach for …

Vitamin K: Past, Present, Future Essential for normal blood coagulation, possible roles in
bone, vascular, and tumor metabolism, and a nutrient critical to the health of the newborn …

The vitamin K–dependent carboxylase uses vitamin K oxygenation to drive carboxylation of
multiple glutamates in vitamin K–dependent proteins, rendering them active in a variety of …

Vitamin K is a key cofactor for the activation of proteins involved in blood coagulation,
apoptosis, bone mineralization regulation, and vessel health. Scientific evidence shows an …

Using continuum electrostatics and QC/MM calculations, we investigate the catalytic cycle of
the glycyl radical enzyme 4-hydroxyphenylacetate decarboxylase, an enzyme involved in …

Cofactor-less oxygenases perform challenging catalytic reactions between singlet co-
substrates and triplet oxygen, in spite of apparently violating the spin-conservation rule. In 1 …

Despite being a very strong oxidizing agent, most organic molecules are not oxidized in the
presence of O2 at room temperature because O2 is a diradical whereas most organic …