Abstract:
:Structural and theoretical analyses of proteins are central to the understanding of complex molecular mechanisms and are fundamental to the drug discovery process. Computational techniques yield useful insights into an ever-wider range of biomolecular systems. Protein three-dimensional structures and molecular functions can be predicted in some circumstances, while experimental structures can be analyzed in depth via such computational approaches. Non-covalent binding of biomolecules can be understood by considering structural, thermodynamic and kinetic issues, and theoretical simulations of such events can be attempted. The central role of electrostatic interactions with regard to protein function, structure and stability has been investigated and some electrostatic properties can be modeled theoretically. Computer methods thus help to prioritize, design, analyze and rationalize biochemical experiments. Cardiovascular diseases and associated blood coagulation disorders are leading causes of death worldwide. Blood coagulation involves more than 30 proteins that interact specifically with various degrees of affinity. Many of these molecules can also bind transiently to phospholipid surfaces. Numerous point mutations in the genes of coagulation proteins and regulators have been identified. Understanding the coagulation cascade, its regulation and the impact of mutations is required for the development of new therapies and diagnostic tools. In this review, we describe concepts and methods pertaining to the field of structural bioinformatics. We provide examples of applications of these approaches to blood coagulation proteins and show that such studies can give insights about molecular mechanisms contributing to cardiovascular disease susceptibility.
journal_name
Curr Protein Pept Scijournal_title
Current protein & peptide scienceauthors
Villoutreix BOdoi
10.2174/1389203023380657keywords:
subject
Has Abstractpub_date
2002-06-01 00:00:00pages
341-64issue
3eissn
1389-2037issn
1875-5550journal_volume
3pub_type
杂志文章,评审abstract::The use of peptide or peptidomimetic transporters to enable or enhance the uptake of drugs or probe molecules into cells and tissues has received increasing research attention and clinical interest over the past 10 years. This review summarizes a class of transporters that have been studied and focuses on the variatio...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203033487252
更新日期:2003-04-01 00:00:00
abstract::A complete understanding of the relationships between protein structure and stability remains an open problem. Much of our insight comes from laborious experimental analyses that perturb structure via directed mutation. The glycolytic enzyme lysozyme is among the most well characterized proteins under this paradigm, d...
journal_title:Current protein & peptide science
pub_type: 杂志文章
doi:10.2174/138920310794109210
更新日期:2010-11-01 00:00:00
abstract::Fbxo7/PARK15 has well-defined roles, acting as part of a Skp1-Cul1-F box protein (SCF)- type E3 ubiquitin ligase and also having SCF-independent activities. Mutations within FBXO7 have been found to cause an early-onset Parkinson's disease, and these are found within or near to its functional domains, including its F-...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203717666160311121433
更新日期:2017-01-01 00:00:00
abstract::The fluorinated alcohol 2,2,2-Trifluoroethanol (TFE) has been implemented for many decades now in conformational studies of proteins and peptides. In peptides, which are often disordered in aqueous solutions, TFE acts as secondary structure stabilizer and primarily induces an α -helical conformation. The exact mechani...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203720666190214152439
更新日期:2019-01-01 00:00:00
abstract::Efforts to use computers in predicting the secondary structure of proteins based only on primary structure information started over a quarter century ago [1-3]. Although the results were encouraging initially, the accuracy of the pioneering methods generally did not attain the level required for using predictions of s...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203003381324
更新日期:2000-11-01 00:00:00
abstract::There has been a tremendous increase in the number of approved drugs derived from recombinant proteins; however, their development as potential drugs has been hampered by their instability that causes difficulty to formulate them as therapeutic agents. It has been shown that the reactivity of thiol and disulfide funct...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920309789630534
更新日期:2009-12-01 00:00:00
abstract::Cardiovascular (CV) diseases are caused by vascular dysfunction. The enhanced sensitivity to vasoconstrictors, reduced endothelium-derived vasodilators nitric oxide (NO) and prostacyclin (PGI2), and endothelium-derived hyperpolarization (EDH) indicate CV dysfunction. In recent years, recombinant human relaxin, known a...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203719666180709103020
更新日期:2018-01-01 00:00:00
abstract::As global resistance to conventional antibiotics rises we need to develop new strategies to develop future novel therapeutics. In our quest to design novel anti-infectives and antimicrobials it is of interest to investigate host-pathogen interactions and learn from the complexity of host defense strategies that have e...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920312804871139
更新日期:2012-12-01 00:00:00
abstract::In this work, we present an extensive analysis of protein contact network topology applied to a wide data set. We extended the concept of degree distribution to graphlets, describing local connectivity patterns. We compared results to those derived from artificial networks of the same size (number of nodes), reproduci...
journal_title:Current protein & peptide science
pub_type: 杂志文章
doi:10.2174/138920371701151130203441
更新日期:2016-01-01 00:00:00
abstract::Angina pectoris, associated with coronary artery disease, a cardiovascular disease where, pain is caused by adverse oxygen supply in myocardium, resulting in contractility and discomfort in chest. Inflammasomes, triggered by stimuli due to infection and cellular stress have identified to play a vital role in the progr...
journal_title:Current protein & peptide science
pub_type: 杂志文章
doi:10.2174/1389203721999201208200242
更新日期:2020-12-08 00:00:00
abstract::Changes in protein structure and function, alteration in protein-protein interaction, and significant difference in protein concentration inside the body could play an important role in indicating the pathological evidence of abnormalities before the development of clinical symptoms and act as a critical detection and...
journal_title:Current protein & peptide science
pub_type: 杂志文章
doi:10.2174/1389203721666200511094222
更新日期:2020-01-01 00:00:00
abstract::The needs for purified nucleic acids for preparative and analytical applications have increased constantly, demanding for the development of new and more efficient methods for their recovery and isolation. DNA molecules harbour some intrinsic chemical properties that render them suitable for chromatographic separation...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203718666171024112556
更新日期:2019-01-01 00:00:00
abstract::Glutathione (GSH or reduced glutathione) is a tripeptide of gamma-Glutamyl-cysteinylglycine and the predominant intracellular antioxidant in many organisms including humans. GSH and associated enzymes are controlled by a transcription factor-nuclear factor-2 related erythroid factor-2 (Nrf2). In cellular milieu, GSH p...
journal_title:Current protein & peptide science
pub_type: 杂志文章
doi:10.2174/1389203720666190206130003
更新日期:2019-01-01 00:00:00
abstract::Elevated blood pressure or hypertension is one of the fastest growing health problems worldwide. Although the etiology of essential hypertension has a genetic component, dietary factors play an important role. With the high costs and adverse side-effects associated with synthetic antihypertensive drugs and the awarene...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/13892037113149990036
更新日期:2013-05-01 00:00:00
abstract::The majority of tRNA studies has focused on tRNA molecules as pivotal player in the fundamental process of protein synthesis. Mounting studies have unveiled further functions for tRNA beyond protein synthesis, including non-ribosomal amino acid transfer, and regulation of targeted proteolysis. Post-translational N-ter...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203719666180809113122
更新日期:2018-01-01 00:00:00
abstract::Fibroids or myomas involve large proportion of women of reproductive age. The myoma formation starts from the transformation of the myometrium, causing the progressive formation of a pseudocapsule, which is made of compressed muscle fibers. Numerous studies investigated on myoma pseudocapsule anatomy, discovering many...
journal_title:Current protein & peptide science
pub_type: 杂志文章
doi:10.2174/1389203717666160322150338
更新日期:2017-01-01 00:00:00
abstract::Defensins are a family of peptides with potent antimicrobial activity. They are found in various organisms. The intent of this article is to review the structures and mechanisms of antimicrobial actions of defensins produced by different organisms including humans, other mammals, birds, reptiles, fish, mollusks, arthr...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920307782411446
更新日期:2007-10-01 00:00:00
abstract::Cardiovascular diseases (CVDs) are the leading cause of mortality worldwide. Rehmanniae Radix Praeparata (RRP) is a popular medicinal herb widely used in traditional Chinese medicine (TCM) to treat CVDs. However, the development of this novel therapeutic product has been stagnant, and its molecular mechanism of action...
journal_title:Current protein & peptide science
pub_type: 杂志文章
doi:10.2174/1389203720666190610161535
更新日期:2019-01-01 00:00:00
abstract::Phytohormone crosstalk is crucial for plant defenses against pathogens and insects in which salicylic acid (SA), jasmonic acid (JA), and ethylene (ET) play key roles. These low molecular mass signals critically trigger and modulate plant resistance against biotrophic as well as necrotrophic pathogens through a complex...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203716666150330141638
更新日期:2015-01-01 00:00:00
abstract::A growing body of work demonstrates the importance of post-transcriptional control, in particular translation initiation, in the overall regulation of gene expression. Here we focus on the contribution of regulatory elements within the 5' and 3' untranslated regions of mRNA to gene expression in eukaryotic cells inclu...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920312801619475
更新日期:2012-06-01 00:00:00
abstract::The biotin carboxylase family is comprised of a group of enzymes that utilize a covalently bound prosthetic group, biotin, as a cofactor. These enzymes, which include acetyl-CoA carboxylase, pyruvate carboxylase, propionyl-CoA carboxylase, methylcrotonyl-CoA carboxylase, geranoyl-CoA carboxylase, oxaloacetate decarbox...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203033487199
更新日期:2003-06-01 00:00:00
abstract::By utilizing recently developed full-length cDNA technologies, large-scale cDNA sequencing was carried out by several cDNA projects. Now full-length cDNA resources cover the major part of the protein-coding human genes. Comprehensive analyses of the collected full-length cDNA data revealed not only the complete sequen...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920306776359795
更新日期:2006-04-01 00:00:00
abstract::Alpha-fetoprotein (AFP), known largely as a growth-promoting agent, possesses a growth-inhibitory motif recently identified as an occult epitopic segment in the third domain. The present study reviews the multiple biological activities of this AFP-derived peptide segment termed the Growth Inhibitory Peptide (GIP), whi...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920306775474130
更新日期:2006-02-01 00:00:00
abstract::Parvalbumin (PA) is a classical small, mostly cytosolic Ca2+-binding protein of the EF-hand superfamily expressed in vertebrates in a tissue- and cell-specific manner, serving as a magnesium/ calcium buffer. In the last decade novel data were published on structural peculiarities of PA, likely affecting its functional...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203717666161213115746
更新日期:2017-01-01 00:00:00
abstract::Carnosine (β-alanyl-L-histidine) and its methylated derivatives: anserine (β-alanyl-Nπ- methyl-L-histidine) and balenine (β-alanyl-Nτ-methyl-L-histidine) are abundant constituents of excitable tissues of vertebrates. While carnosine and anserine are present at high concentrations and in variable proportions in skeleta...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203719666180226155657
更新日期:2018-01-01 00:00:00
abstract::The complement system is a major effector arm of the immune defense contributing to the destruction of invading pathogens. There are three possible routes of complement cascade activation: the classical, the alternative and the lectin pathways. The activation of the classical and lectin pathways is initiated by supram...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203013381242
更新日期:2001-03-01 00:00:00
abstract::Evidence is accumulating that small open reading frames (sORF, <100 codons) play key roles in many important biological processes. Yet, they are generally ignored in gene annotation despite they are far more abundant than the genes with more than 100 codons. Here, we demonstrate that popular homolog search and codon-i...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920311796957667
更新日期:2011-09-01 00:00:00
abstract::While the crucial role of intrinsically disordered proteins (IDPs) in the cell cycle is now recognized, deciphering their molecular mode of action at the structural level still remains highly challenging and requires a combination of many biophysical approaches. Among them, small angle X-ray scattering (SAXS) has been...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920312799277901
更新日期:2012-02-01 00:00:00
abstract::Prediction of protein domain boundaries is an important step for the prediction of three-dimensional structure. The simple method PDP has been elaborated for prediction of the number and position of domain boundaries in multi-domain proteins by use of amino acid sequence alone. The method uses an optimized scale based...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/138920307780363460
更新日期:2007-04-01 00:00:00
abstract::Glucagon-like peptide 2 (GLP-2) is a newly discovered gastrointestinal peptide with 33% sequence homology to glucagon. GLP-2 has attracted interest because of its potent intestinotrophic endocrine/paracrine actions. The peptide, consisting of 33-amino-acid, results from expression of the glucagon gene in the enteroend...
journal_title:Current protein & peptide science
pub_type: 杂志文章,评审
doi:10.2174/1389203043486946
更新日期:2004-02-01 00:00:00