Sulfur assimilation fuels bacterial growth by supplying the reduced sulfur required for the biosynthesis of sulfur-containing biomolecules. Adenosine 5′-phosphosulfate reductase (APSR) catalyzes the first reductive step of this pathway, converting adenosine 5′-phosphosulfate (APS) to adenosine monophosphate. This react...
Matilda Ymeraj, Carlos A. Ramos-Guzmán, Marko Hanževački et al.· bioRxiv· 0 citations
The urgent need for new antileishmanial drugs persists due to resistance and toxicity associated with current treatments. Although bisindoles represent a promising chemotype, our first-generation 2,2'-di(indol-3-yl)ethanamines, inspired by a natural marine alkaloid, displayed significant cytotoxicity despite potent act...
Gian Marco Elisi, Antonio Gkoutzamanis, S. Maestrini et al.· ACS Infectious Diseases· 0 citations
Peroxisome proliferator-activated receptors (PPARs) are nuclear receptors that regulate metabolic homeostasis and represent important therapeutic targets for conditions such as type 2 diabetes, dyslipidemia, and cardiovascular disease. While classical modulators often rely on carboxylic acid moieties to anchor receptor...
Adriana Coricello, A. De Simone, Giovanni Bottegoni· Current Topics in Medicinal...· 0 citations
Understanding how allosteric modulators influence protein dynamics is essential for guiding drug design. This work analyses a total of 45 μs of classical molecular dynamics simulations for four class A G-protein-coupled receptors (GPCRs), namely the Complement C5a receptor (C5AR1), the Purinergic Receptor P2Y (P2RY1),...
S. Peter, G. Chalhoub, Peter J. McCormick et al.· Journal of Chemical Informat...· 0 citations
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