Abstract:
:Virtual screening is being routinely used as an integral part of today's hit-identification strategies for, on one hand, prioritizing large corporate screening collections and, on the other hand, to extend the scope of screening to external databases. A brief description of the essential elements required for virtual screening and an application example to the identification of agonist hits for the oestrogen receptor subtype ER alpha are presented.
journal_name
Biochem Soc Transjournal_title
Biochemical Society transactionsauthors
Mestres Jdoi
10.1042/bst0300797keywords:
subject
Has Abstractpub_date
2002-08-01 00:00:00pages
797-9issue
4eissn
0300-5127issn
1470-8752journal_volume
30pub_type
杂志文章abstract::In fluctuating environmental conditions, organisms must modulate their bioenergetic production in order to maintain cellular homeostasis for optimal fitness. Mitochondria are hubs for metabolite and energy generation. Mitochondria are also highly dynamic in their function: modulating their composition, size, density, ...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/BST20200250
更新日期:2020-11-27 00:00:00
abstract::NMDARs (N-methyl-D-aspartate receptors) are considered to be a target for the inhibitory actions of ethanol. While profound inhibition of both native and recombinant NMDARs can be observed following the application of high concentrations of ethanol the levels of inhibition seen with lower concentrations of ethanol are...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/BST0371423
更新日期:2009-12-01 00:00:00
abstract::The protein kinase C (PKC) family of serine/threonine protein kinases share structural homology, while exhibiting substantial functional diversity. PKC isoforms are ubiquitously expressed in tissues which makes it difficult to define roles for individual isoforms, with complexity compounded by the finding that PKC iso...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST20140255
更新日期:2014-12-01 00:00:00
abstract::Site-specific recombinases are enzymes that promote precise rearrangements of DNA sequences. They do this by cutting and rejoining the DNA strands at specific positions within a pair of target sites recognized and bound by the recombinase. One group of these enzymes, the serine recombinases, initiates strand exchange ...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0390617
更新日期:2011-04-01 00:00:00
abstract::Diet can significantly influence exercise performance. Diet alone will not ensure successful performance in sport, but it plays a permissive role in allowing sustained intensive training with limited risk of illness and injury. Diet may also promote adaptations to training by stimulating synthesis and breakdown of the...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/bst0311267
更新日期:2003-12-01 00:00:00
abstract::The steroid hormone progesterone regulates many critical aspects of vertebrate physiology. The nuclear receptor for progesterone functions as a ligand-activated transcription factor, directly regulating gene expression. This type of signalling is referred to as the 'genomic' pathway. Nevertheless, progesterone also st...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/BST20110638
更新日期:2012-02-01 00:00:00
abstract::The Cdc (cell division cycle) 45 protein has a central role in the regulation of the initiation and elongation stages of eukaryotic chromosomal DNA replication. In addition, it is the main target for a Chk1 (checkpoint kinase 1)-dependent Cdc25/CDK2 (cyclin-dependent kinase 2)-independent DNA damage checkpoint signal ...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0370926
更新日期:2009-08-01 00:00:00
abstract::Although the Gompertz formula accurately describes observed mortality distributions over most of their extent, their 'tail' is much longer than that of a Gompertz curve fitted to the whole data set. A simple candidate explanation is that the longest-lived subset of any population will necessarily be enriched in indivi...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/bst0310452
更新日期:2003-04-01 00:00:00
abstract::Many proteins self-assemble to form large supramolecular complexes. Numerous examples of these structures have been characterized, ranging from spherical viruses to tubular protein assemblies. Some new kinds of supramolecular structures are just coming to light, while it is likely there are others that have not yet be...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0350508
更新日期:2007-06-01 00:00:00
abstract::Molecular bioenergetics deals with the construction, function and regulation of the powerhouses of life. The present overview sketches scenes and actors, farsighted goals and daring hypotheses, meticulous tool-making, painstaking benchwork, lucky discovery, serious scepticism, emphatic believing and strong characters ...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST20130199
更新日期:2013-10-01 00:00:00
abstract::Mitochondria are central to the health of eukaryotic cells. While commonly known for their bioenergetic role, mitochondria also function as signaling organelles that regulate cell stress responses capable of restoring homeostasis or leading the stressed cell to eventual death. Damage to the plasma membrane is a potent...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/BST20200120
更新日期:2020-10-30 00:00:00
abstract::Molecular, biochemical and genetic characterization of ornithine decarboxylase, S -adenosylmethionine decarboxylase and spermidine synthase establishes that these polyamine-biosynthetic enzymes are essential for growth and survival of the agents that cause African sleeping sickness, Chagas' disease, leishmaniasis and ...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/bst0310415
更新日期:2003-04-01 00:00:00
abstract::The calcium-sensing receptor is a multimodal, multimetabolic sensor that mediates the feedback-dependent control of whole body calcium metabolism. Remarkably, in addition to its role in Ca(2+)(o) (extracellular Ca(2+)) sensing, the CaR (Ca(2+)-sensing receptor) also responds to L-amino acids. L-amino acids appear to a...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0351195
更新日期:2007-11-01 00:00:00
abstract::Based on recent theoretical results on optimal flux distributions in kinetic metabolic networks, we explore the congruences and differences between solutions of kinetic optimization problems and results obtained by constraint-based methods. We demonstrate that, for a certain resource allocation problem, kinetic optimi...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST20150156
更新日期:2015-12-01 00:00:00
abstract::SUMOylation of viral proteins is widespread and serves to modify or regulate the properties of those proteins. Papillomaviruses are a large group of small DNA viruses that infect the skin, leading to benign lesions (warts) that in some cases can progress to malignancy. The papillomavirus life cycle is intimately conne...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0351433
更新日期:2007-12-01 00:00:00
abstract::NRs (nuclear receptors) regulate the expression of specific gene networks in target cells by recruiting cofactor complexes involved in chromatin remodelling and in the assembly of transcription complexes. The importance of activating gene expression, in metabolic tissues, is well established, but the contribution of t...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/BST0341103
更新日期:2006-12-01 00:00:00
abstract::The statins are inhibitors of 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase (HMG-CoAR), and are utilized to decrease levels of atherogenic lipoproteins in patients with, or who are at high risk of, cardiovascular disease. This study describes the inhibition of a recombinant, catalytic fragment of human HMG-CoAR b...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/bst0310528
更新日期:2003-06-01 00:00:00
abstract::Intracellular pathogens survive in eukaryotic cells by evading a variety of host defences. To avoid degradation through the endocytic pathway, intracellular bacteria must adapt their phagosomes into protective compartments that promote bacterial replication. Legionella pneumophila and Coxiella burnetii are Gram-negati...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST20120167
更新日期:2012-12-01 00:00:00
abstract::Homologous recombination is essential for accurate chromosome segregation during meiosis in most sexual organisms. Meiotic recombination is initiated by the formation of DSBs (DNA double-strand breaks) made by the Spo11 protein. We review here recent findings pertaining to protein-protein interactions important for DS...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0340523
更新日期:2006-08-01 00:00:00
abstract::The short consensus/complement repeat (SCR) domain (also known as the complement control protein domain) is the most abundant domain type in the complement system. Crystal and NMR structures for proteins that contain single and multiple SCR domains have now been published. These contain inter-SCR linkers of between th...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/bst0300996
更新日期:2002-11-01 00:00:00
abstract::We recently showed that transport of ergosterol from the ER (endoplasmic reticulum) to the sterol-enriched PM (plasma membrane) in yeast occurs by a non-vesicular (Sec18p-independent) mechanism that results in the equilibration of sterol pools in the two organelles [Baumann, Sullivan, Ohvo-Rekilä, Simonot, Pottekat, K...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0340356
更新日期:2006-06-01 00:00:00
abstract::Anaphase B spindle elongation plays an important role in chromosome segregation. In the present paper, we discuss our model for anaphase B in Drosophila syncytial embryos, in which spindle elongation depends on an ip (interpolar) MT (microtubule) sliding filament mechanism generated by homotetrameric kinesin-5 motors ...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0391149
更新日期:2011-10-01 00:00:00
abstract::Mutations in the leucine-rich repeat kinase 2 (LRRK2) gene are the most common cause of familial Parkinson's disease (PD) with autosomal dominant inheritance. Accordingly, LRRK2 has emerged as a promising therapeutic target for disease modification in PD. Since the first discovery of LRRK2 mutations some 12 years ago,...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST20160264
更新日期:2017-02-08 00:00:00
abstract::Biochemical features of renin have been studied. Determination of the amino acid sequence and catalytically essential groups in the active sites of mouse submandibular gland revealed the similarity of renin with acid proteases. Yet stringent substrate specificity, neutral pH optimum of its enzyme activity and the uniq...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/bst0120951
更新日期:1984-12-01 00:00:00
abstract::Genetic experiments have indicated that succinoglycan (EPS I), the acidic Calcofluor-binding exopolysaccharide, of the nitrogen-fixing bacterium Rhizobium meliloti strain Rm1021 is required for nodule invasion and possibly for later events in nodule development on alfalfa and other hosts. Fourteen exo loci on the seco...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/bst0190636
更新日期:1991-08-01 00:00:00
abstract::Many plant viral RNAs lack the 5'-cap structure that is required on all host mRNAs for interacting with essential translation initiation factors. Instead, uncapped viral RNAs take over the host translation machinery by harbouring sequences that functionally replace the 5'-cap. Recent reports reveal at least eight diff...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0351629
更新日期:2007-12-01 00:00:00
abstract::Inflammation or inflammatory cytokines and oxidative stress have often been associated, and thiol antioxidants, particularly glutathione, have often been seen as possible anti-inflammatory mediators. However, whereas several cytokine inhibitors have been approved for drug use in chronic inflammatory diseases, this has...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST0391268
更新日期:2011-10-01 00:00:00
abstract::Experimental processes in the life sciences are becoming increasingly complex. As a result, recording, archiving and sharing descriptions of these processes and of the results of experiments is becoming ever more challenging. However, validation of results, sharing of best practice and integrated analysis all require ...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/BST0360033
更新日期:2008-02-01 00:00:00
abstract::Unr (upstream of N-ras) is a eukaryotic RNA-binding protein that has a number of roles in the post-transcriptional regulation of gene expression. Originally identified as an activator of internal initiation of picornavirus translation, it has since been shown to act as an activator and inhibitor of cellular translatio...
journal_title:Biochemical Society transactions
pub_type: 杂志文章,评审
doi:10.1042/BST20140271
更新日期:2015-06-01 00:00:00
abstract::Intellectual disability (ID) affects at least 1% of the population, and typically presents in the first few years of life. ID is characterized by impairments in cognition and adaptive behavior and is often accompanied by further delays in language and motor skills, as seen in many neurodevelopmental disorders (NDD). R...
journal_title:Biochemical Society transactions
pub_type: 杂志文章
doi:10.1042/BST20200109
更新日期:2020-06-30 00:00:00