POVME 2.0: an enhanced tool for determining pocket shape and volume characteristics

JD Durrant, L Votapka, J Sørensen… - Journal of chemical …, 2014 - ACS Publications
Analysis of macromolecular/small-molecule binding pockets can provide important insights
into molecular recognition and receptor dynamics. Since its release in 2011, the POVME …

Immune activation and inflammation increase the plasma phenylalanine-to-tyrosine ratio

S Geisler, JM Gostner, K Becker, F Ueberall, D Fuchs - Pteridines, 2013 - degruyter.com
The proinflammatory cytokine interferon (IFN) γ activates GTP-cyclohydrolase I. In turn, the
production of neopterin in human monocytic cells and of 5, 6, 7, 8-tetrahydrobiopterin (BH4) …

[HTML][HTML] GC–MS-based metabolomics identifies an amino acid signature of acute ischemic stroke

D Wang, J Kong, J Wu, X Wang, M Lai - Neuroscience Letters, 2017 - Elsevier
Ischemic stroke is a serious public health problem worldwide. Here, we characterized the
metabolite features of acute ischemic stroke (AIS) using a gas chromatography-mass …

Immune activation and inflammation in patients with cardiovascular disease are associated with higher phenylalanine to tyrosine ratios: the ludwigshafen risk and …

C Murr, TB Grammer, A Meinitzer… - Journal of amino …, 2014 - Wiley Online Library
Higher serum neopterin is associated with increased mortality in patients with coronary
artery disease (CAD). Preferentially Th1‐type cytokine interferon‐γ stimulates neopterin …

Novel synthetic biscoumarins target tumor necrosis factor-α in hepatocellular carcinoma in vitro and in vivo

HK Keerthy, CD Mohan, KS Siveen, JE Fuchs… - Journal of Biological …, 2014 - ASBMB
TNF is a pleotropic cytokine known to be involved in the progression of several pro-
inflammatory disorders. Many therapeutic agents have been designed to counteract the …

Conformational dynamics is key to understanding loss-of-function of NQO1 cancer-associated polymorphisms and its correction by pharmacological ligands

E Medina-Carmona, RJ Palomino-Morales, JE Fuchs… - Scientific reports, 2016 - nature.com
Protein dynamics is essential to understand protein function and stability, even though is
rarely investigated as the origin of loss-of-function due to genetic variations. Here, we use …

Aggravated hepatic fibrosis induced by phenylalanine and tyrosine was ameliorated by chitooligosaccharides supplementation

P Liu, H Li, H Xu, J Gong, M Jiang, Z Xu, J Shi - Iscience, 2023 - cell.com
Hepatic fibrosis is a classic pathological manifestation of metabolic chronic hepatopathy.
The pathological process might either gradually deteriorate into cirrhosis and ultimately liver …

Enhanced vulnerability of human proteins towards disease-associated inactivation through divergent evolution

E Medina-Carmona, JE Fuchs, JA Gavira… - Human molecular …, 2017 - academic.oup.com
Human proteins are vulnerable towards disease-associated single amino acid replacements
affecting protein stability and function. Interestingly, a few studies have shown that …

Nuclear magnetic resonance-based metabolomics approach revealed the intervention effect of using Complementary and Alternative Medicine (CAM) by CKD …

N Gupta, DK Yadav, S Gautam, A Kumar, D Kumar… - ACS …, 2023 - ACS Publications
Chronic kidney disease (CKD) is the end point of a number of systemic chronic diseases.
The prevalence of CKD is increasing worldwide and recent epidemiological studies are …

Kynurenine/tryptophan ratio predicts angiotensin receptor blocker responsiveness in patients with diabetic kidney disease

MH Wu, CN Lin, DTY Chiu, ST Chen - Diagnostics, 2020 - mdpi.com
Albuminuria is a measurement and determinant factor for diabetic kidney disease (DKD).
Angiotensin receptor blocker (ARB) is recommended for albuminuria in DKD with variable …