Molecular dynamics simulations of a collagen-like peptide (Pro-Hyp-Gly)4-Pro-Hyp-Ala-(Pro-Hyp-Gly)5 have been done in order to study the contribution of the hydration structure on keeping the native structure of collagen. The simulation shows that the absence of water produces a distortion on the molecular conformation and an increase in the number of intra-molecular hydrogen bonds. This is in agreement with previous experimental results showing the stiffness of collagen under severe drying and its increase in the thermal stability. This dehydrated material does not keep, however, the native structure.
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http://dx.doi.org/10.1016/s1093-3263(02)00145-6 | DOI Listing |
Comput Struct Biotechnol J
December 2024
Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther-University of Halle-Wittenberg, Halle (Saale) 06120, Germany.
Reliable in silico prediction of fragment binding modes remains a challenge in current drug design research. Due to their small size and generally low binding affinity, fragments can potentially interact with their target proteins in different ways. In the current study, we propose a workflow aimed at predicting favorable fragment binding sites and binding poses through multiple short molecular dynamics simulations.
View Article and Find Full Text PDFFront Parasitol
February 2024
Department of Pharmacy Practice and Science, College of Pharmacy, University of Kentucky, Lexington, KY, United States.
An iron-containing milk protein named lactoferrin (Lf) has demonstrated antiparasitic and immunomodulatory properties against a variety of human parasites. This protein has shown its capability to bind and transport iron molecules in the vicinity of the host-pathogen environment. The ability of parasites to sequester the iron molecule and to increase their pathogenicity and survival depends on the availability of iron sources.
View Article and Find Full Text PDFInt J Nurs Stud Adv
June 2025
International Nursing Development, Institute of Science Tokyo (former Tokyo Medical and Dental University), 1-5-45 Yushima Bunkyo-ku Tokyo 113-8519 Japan.
Background: Nurse educators must be culturally sensitive to teach cultural care to nursing students effectively.
Objective: To explore the factors associated with cultural sensitivity and global nursing education among nurse educators.
Methods: This was a cross-sectional exploratory study.
J Am Chem Soc
January 2025
Chemical Engineering, School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, Arizona 85287, United States.
Visualizing the structure of the protein-inorganic interface is critically important for a more complete understanding of biomineralization. Unfortunately, there are limited approaches for the direct and detailed study of biomolecules that interact with inorganic materials. Here, we use single-particle cryo-electron microscopy (cryo-EM) to study the protein-nanoparticle (NP) interactions of human light chain ferritin and visualize the high-resolution details of the protein-inorganic interface.
View Article and Find Full Text PDFCan J Nurs Res
January 2025
School of Nursing, Toronto Metropolitan University, Toronto, ON, Canada.
Although race is socially constructed, racism and racialization are social determinants of health. Over four centuries of colonial genocide and structural violence against Indigenous and Black peoples in Canada have resulted in intergeneration traumas and health disparities among Indigenous and Black people, sustained by ongoing social, political, and economic inequities. Evidence indicates the impact of contemporary and historical forms of racism on health outcomes.
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