Getting to the outer leaflet: physiology of phosphatidylserine exposure at the plasma membrane

EM Bevers, PL Williamson - Physiological reviews, 2016 - journals.physiology.org
Phosphatidylserine (PS) is a major component of membrane bilayers whose change in
distribution between inner and outer leaflets is an important physiological signal. Normally …

Hierarchical virtual screening approaches in small molecule drug discovery

A Kumar, KYJ Zhang - Methods, 2015 - Elsevier
Virtual screening has played a significant role in the discovery of small molecule inhibitors of
therapeutic targets in last two decades. Various ligand and structure-based virtual screening …

Predicting protein–membrane interfaces of peripheral membrane proteins using ensemble machine learning

A Chatzigoulas, Z Cournia - Briefings in Bioinformatics, 2022 - academic.oup.com
Abnormal protein–membrane attachment is involved in deregulated cellular pathways and
in disease. Therefore, the possibility to modulate protein–membrane interactions represents …

DREAMM: a web-based server for drugging protein-membrane interfaces as a novel workflow for targeted drug design

A Chatzigoulas, Z Cournia - Bioinformatics, 2022 - academic.oup.com
The allosteric modulation of peripheral membrane proteins (PMPs) by targeting protein-
membrane interactions with drug-like molecules represents a new promising therapeutic …

Synthesis, Docking, and In Vitro Anticoagulant Activity Assay of Hybrid Derivatives of Pyrrolo[3,2,1-ij]Quinolin-2(1H)-one as New Inhibitors of Factor Xa and Factor …

N Novichikhina, I Ilin, A Tashchilova, A Sulimov… - Molecules, 2020 - mdpi.com
Coagulation factor Xa and factor XIa are proven to be convenient and crucial protein targets
for treatment for thrombotic disorders and thereby their inhibitors can serve as effective …

Inhibition of neutral sphingomyelinase 2 by novel small molecule inhibitors results in decreased release of extracellular vesicles by vascular smooth muscle cells and …

A Pavlic, H Poelman, G Wasilewski… - International journal of …, 2023 - mdpi.com
Vascular calcification (VC) is an important contributor and prognostic factor in the
pathogenesis of cardiovascular diseases. VC is an active process mediated by the release …

Screening-based translation of public research encounters painful problems

JB Baell - ACS medicinal chemistry letters, 2015 - ACS Publications
Whether identified through high throughput screening or in silico screening, and whether
target-based or phenotypic, sets of hits will contain chemical con artists. Such pan-assay …

Structure-based cyclic glycoprotein ibα-derived peptides interfering with von Willebrand factor-binding, affecting platelet aggregation under shear

J Hrdinova, DI Fernández, B Ercig… - International journal of …, 2022 - mdpi.com
The plasmatic von Willebrand factor (VWF) circulates in a compact form unable to bind
platelets. Upon shear stress, the VWF A1 domain is exposed, allowing VWF-binding to …

New Hybrid Tetrahydropyrrolo[3,2,1-ij]quinolin-1-ylidene-2-thioxothiazolidin-4-ones as New Inhibitors of Factor Xa and Factor XIa: Design, Synthesis, and In Silico …

NP Novichikhina, AS Shestakov, SM Medvedeva… - Molecules, 2023 - mdpi.com
Despite extensive research in the field of thrombotic diseases, the prevention of blood clots
remains an important area of study. Therefore, the development of new anticoagulant drugs …

Human colon cancer cells highly express myoferlin to maintain a fit mitochondrial network and escape p53-driven apoptosis

G Rademaker, B Costanza, J Bellier, M Herfs, R Peiffer… - Oncogenesis, 2019 - nature.com
Colon adenocarcinoma is the third most commonly diagnosed cancer and the second
deadliest one. Metabolic reprogramming, described as an emerging hallmark of malignant …