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Biomolecules, Volume 10, Issue 3

March 2020 - 145 articles

Cover Story: α-CD2SDS1 inclusion complexes are used to test eight different parameterizations of the GROMOS and AMBER force fields, including several methods aimed to increase the conformational sampling in MD simulations. The system proved to be extremely sensitive to the employed force field, as well as to the presence of a water/air interface. Analysis of the simulations using GROMOS showed quick adsorption of the complex to the interface as well as highly exotic behavior of the water molecules surrounding the structure. The chirality of the CD molecule plays an important role in this behavior. These results contribute to better understanding the adsorption and aggregation driving forces of CD-based supramolecular complexes, as well as to the introduction of new methods able to speed up MD simulations. View this paper.
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Articles (145)

  • Article
  • Open Access
5 Citations
3,907 Views
12 Pages

2-Oxoester Phospholipase A2 Inhibitors with Enhanced Metabolic Stability

  • Giorgos S. Koutoulogenis,
  • Maroula G. Kokotou,
  • Daiki Hayashi,
  • Varnavas D. Mouchlis,
  • Edward A. Dennis and
  • George Kokotos

24 March 2020

2-Oxoesters constitute an important class of potent and selective inhibitors of human cytosolic phospholipase A2 (GIVA cPLA2) combining an aromatic scaffold or a long aliphatic chain with a short aliphatic chain containing a free carboxylic acid. Alt...

  • Article
  • Open Access
35 Citations
6,350 Views
12 Pages

Induction of p53-Dependent Apoptosis by Prostaglandin A2

  • Su-Been Lee,
  • Sangsun Lee,
  • Ji-Young Park,
  • Sun-Young Lee and
  • Ho-Shik Kim

24 March 2020

Prostaglandin (PG) A2, one of cyclopentenone PGs, is known to induce activation of apoptosis in various cancer cells. Although PGA2 has been reported to cause activation of apoptosis by altering the expression of apoptosis-related genes, the role of...

  • Article
  • Open Access
34 Citations
6,711 Views
20 Pages

The Vitamin D Receptor Regulates Glycerolipid and Phospholipid Metabolism in Human Hepatocytes

  • Teresa Martínez-Sena,
  • Polina Soluyanova,
  • Carla Guzmán,
  • José Manuel Valdivielso,
  • José Vicente Castell and
  • Ramiro Jover

24 March 2020

The vitamin D receptor (VDR) must be relevant to liver lipid metabolism because VDR deficient mice are protected from hepatosteatosis. Therefore, our objective was to define the role of VDR on the overall lipid metabolism in human hepatocytes. We dev...

  • Article
  • Open Access
11 Citations
4,200 Views
17 Pages

The Role of MECP2 and CCR5 Polymorphisms on the Development and Course of Systemic Lupus Erythematosus

  • Ewa Rzeszotarska,
  • Anna Sowinska,
  • Barbara Stypinska,
  • Ewa Walczuk,
  • Anna Wajda,
  • Anna Lutkowska,
  • Anna Felis-Giemza,
  • Marzena Olesinska,
  • Mariusz Puszczewicz and
  • Dominik Majewski
  • + 6 authors

24 March 2020

Systemic lupus erythematosus (SLE) is a chronic and systemic autoimmune disease. SLE is described by production of autoantibodies and causes damage of many organs. T-cells play a crucial role in SLE pathogenesis. T-cells intensify inflammation throug...

  • Feature Paper
  • Article
  • Open Access
9 Citations
3,544 Views
14 Pages

Interactions between Avibactam and Ceftazidime-Hydrolyzing Class D β-Lactamases

  • Jean-Marie Frère,
  • Pierre Bogaerts,
  • Te-Din Huang,
  • Patrick Stefanic,
  • Joël Moray,
  • Fabrice Bouillenne and
  • Alain Brans

23 March 2020

Class D β-lactamases exhibit very heterogeneous hydrolysis activity spectra against the various types of clinically useful β-lactams. Similarly, and according to the available data, their sensitivities to inactivation by avibactam can vary by a facto...

  • Article
  • Open Access
17 Citations
4,431 Views
13 Pages

23 March 2020

Cognitive impairment can be associated with reduced adult hippocampal neurogenesis, and it may contribute to age-associated neurodegenerative diseases such as Alzheimer’s (AD). Compound K (CK) is produced from the protopanaxadiol (PPD)-type gin...

  • Review
  • Open Access
633 Citations
32,875 Views
38 Pages

TGF-β Signaling

  • Kalliopi Tzavlaki and
  • Aristidis Moustakas

23 March 2020

Transforming growth factor-β (TGF-β) represents an evolutionarily conserved family of secreted polypeptide factors that regulate many aspects of physiological embryogenesis and adult tissue homeostasis. The TGF-β family members are als...

  • Article
  • Open Access
11 Citations
5,057 Views
19 Pages

Camel Hemorphins Exhibit a More Potent Angiotensin-I Converting Enzyme Inhibitory Activity than Other Mammalian Hemorphins: An In Silico and In Vitro Study

  • Amanat Ali,
  • Seham Abdullah Rashed Alzeyoudi,
  • Shamma Abdulla Almutawa,
  • Alya Nasir Alnajjar,
  • Yusra Al Dhaheri and
  • Ranjit Vijayan

23 March 2020

Angiotensin-I converting enzyme (ACE) is a zinc metallopeptidase that has an important role in regulating the renin-angiotensin-aldosterone system (RAAS). It is also an important drug target for the management of cardiovascular diseases. Hemorphins a...

  • Review
  • Open Access
63 Citations
13,196 Views
17 Pages

Notch3 in Development, Health and Disease

  • Samira Hosseini-Alghaderi and
  • Martin Baron

23 March 2020

Notch3 is one of four mammalian Notch proteins, which act as signalling receptors to control cell fate in many developmental and adult tissue contexts. Notch signalling continues to be important in the adult organism for tissue maintenance and renewa...

  • Article
  • Open Access
31 Citations
6,363 Views
11 Pages

BMP-SMAD1/5 Signaling Regulates Retinal Vascular Development

  • Andreas Benn,
  • Florian Alonso,
  • Jo Mangelschots,
  • Elisabeth Génot,
  • Marleen Lox and
  • An Zwijsen

23 March 2020

Vascular development is an orchestrated process of vessel formation from pre-existing vessels via sprouting and intussusceptive angiogenesis as well as vascular remodeling to generate the mature vasculature. Bone morphogenetic protein (BMP) signaling...

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Biomolecules - ISSN 2218-273X