Abstract:
:In silico screening based on the structures of the ligands or of the receptors has become an essential tool to facilitate the drug discovery process but compound collections are needed to carry out such in silico experiments. It has been recognized that absorption, distribution, metabolism, excretion and toxicity (ADME/tox) are key properties that need to be considered early on, even during the database preparation stage. FAF-Drugs is an online service based on Frowns (a chemoinformatics toolkit) that allows users to process their own compound collections via simple ADME/Tox filtering rules such as molecular weight, polar surface area, logP or number of rotatable bonds. SMILES (Simplified Molecular Input Line Entry System), CANSMILES (canonical smiles) or SDF (structure data file) files are required as input and molecules that pass or do not pass the filters are sent back in CANSMILES format. This service should thus help scientists engaging in drug discovery campaigns. Other utilities and several compound collections suitable for in silico screening are available at our site. FAF-Drugs can be accessed at http://bioserv.rpbs.jussieu.fr/FAFDrugs.html.
journal_name
Nucleic Acids Resjournal_title
Nucleic acids researchauthors
Miteva MA,Violas S,Montes M,Gomez D,Tuffery P,Villoutreix BOdoi
10.1093/nar/gkl065subject
Has Abstractpub_date
2006-07-01 00:00:00pages
W738-44issue
Web Server issueeissn
0305-1048issn
1362-4962pii
34/suppl_2/W738journal_volume
34pub_type
杂志文章abstract::IslandViewer (http://pathogenomics.sfu.ca/islandviewer) is a web-accessible application for the computational prediction and analysis of genomic islands (GIs) in bacterial and archaeal genomes. GIs are clusters of genes of probable horizontal origin and are of high interest because they disproportionately encode virul...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkt394
更新日期:2013-07-01 00:00:00
abstract::Many bacterial plasmids replicate by an asymmetric rolling-circle mechanism that requires sequence-specific recognition for initiation, nicking of one of the template DNA strands and unwinding of the duplex prior to subsequent leading strand DNA synthesis. Nicking is performed by a replication-initiation protein (Rep)...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkw689
更新日期:2016-10-14 00:00:00
abstract::Analysis of large-scale gene expression studies usually begins with gene clustering. A ubiquitous problem is that different algorithms applied to the same data inevitably give different results, and the differences are often substantial, involving a quarter or more of the genes analyzed. This raises a series of import...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gki536
更新日期:2005-05-10 00:00:00
abstract::A 30 nt RNA with a sequence designed to form an intramolecular triple helix was analyzed by one-and two-dimensional NMR spectroscopy and UV absorption measurements. NMR data show that the RNA contains seven pyrimidine-purine-pyrimidine base triples stabilized by Watson-Crick and Hoogsteen interactions. The temperature...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/24.14.2841
更新日期:1996-07-15 00:00:00
abstract::Treatment of the ciliated protozoan Tetrahymena thermophila with 8-methoxypsoralen combined with long wavelength ultraviolet irradiation (UVA, lambda approximately 360 nm) resulted in a dose dependent equal inhibition of the synthesis of rRNA, 5.8S, 5S and tRNA. Similar results were obtained with 3-carbethoxy-8-methox...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/15.3.921
更新日期:1987-02-11 00:00:00
abstract::It is known that DNA curvature plays a certain role in gene regulation. The distribution of curved DNA in promoter regions is evolutionarily preserved, and it is mainly determined by temperature of habitat. However, very little is known on the distribution of DNA curvature in termination sites. Our main objective was ...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkl230
更新日期:2006-05-05 00:00:00
abstract::A multipurpose plasmid, pUR 250, has been constructed. It contains seven unique cloning sites (Hind III, Xba I, Sal I, Acc I, Hinc II, BamH I and EcoR I) in a small region of its lac Z gene part. Insertion of foreign DNA into the plasmid can be easily detected. Plasmid DNA isolated from a clone by a rapid method can b...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/10.19.5765
更新日期:1982-10-11 00:00:00
abstract::iSARST is a web server for efficient protein structural similarity searches. It is a multi-processor, batch-processing and integrated implementation of several structural comparison tools and two database searching methods: SARST for common structural homologs and CPSARST for homologs with circular permutations. iSARS...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkp291
更新日期:2009-07-01 00:00:00
abstract::In non-malignant RWPE-1 prostate epithelial cells signaling by the nuclear receptor Vitamin D Receptor (VDR, NR1I1) induces cell cycle arrest through targets including CDKN1A (encodes p21((waf1/cip1))). VDR dynamically induced individual histone modification patterns at three VDR binding sites (R1, 2, 3) on the CDKN1A...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkq875
更新日期:2011-03-01 00:00:00
abstract::Several electrophoretic and chromatographic systems have been investigated and compared for sequence analysis of oligodeoxyribonucleotides. Three systems were found to be useful for the separation of a series of sequential degradation products resulting from a labeled oligonucleotide: (I) 2-D electrophoresisdagger; (I...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/1.3.331
更新日期:1974-03-01 00:00:00
abstract::The MalaCards human disease database (http://www.malacards.org/) is an integrated compendium of annotated diseases mined from 68 data sources. MalaCards has a web card for each of ∼20 000 disease entries, in six global categories. It portrays a broad array of annotation topics in 15 sections, including Summaries, Symp...
journal_title:Nucleic acids research
pub_type: 杂志文章,评审
doi:10.1093/nar/gkw1012
更新日期:2017-01-04 00:00:00
abstract::The archaeal exosome is a phosphorolytic 3'-5' exoribonuclease complex. In a reverse reaction it synthesizes A-rich RNA tails. Its RNA-binding cap comprises the eukaryotic orthologs Rrp4 and Csl4, and an archaea-specific subunit annotated as DnaG. In Sulfolobus solfataricus DnaG and Rrp4 but not Csl4 show preference f...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gku969
更新日期:2014-11-10 00:00:00
abstract::The eukaryotic mismatch repair protein Msh6 shares five domains in common with other MutS members. However, it also contains several hundred additional residues at its N-terminus. A few of these residues bind to PCNA, but the functions of the other amino acids in the N-terminal region (NTR) are unknown. Here we demons...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkm409
更新日期:2007-01-01 00:00:00
abstract::Abasic substitutions in the non-template strand and promoter sequence changes were made to assess the roles of various promoter features in sigma70 holoenzyme interactions with fork junction probes. Removal of -10 element non-template single strand bases, leaving the phosphodiester backbone intact, did not interfere w...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkg400
更新日期:2003-06-01 00:00:00
abstract::Riboswitch RNAs fold into complex tertiary structures upon binding to their cognate ligand. Ligand recognition is accomplished by key residues in the binding pocket. In addition, it often crucially depends on the stability of peripheral structural elements. The ligand-bound complex of the guanine-sensing riboswitch fr...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkr664
更新日期:2011-12-01 00:00:00
abstract::Several different computational problems have been solved using DNA as a medium. However, the DNA computations that have so far been carried out have examined a relatively small number of possible sequence solutions in order to find correct sequence solutions. We have encoded a search algorithm in DNA that required th...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/26.22.5203
更新日期:1998-11-15 00:00:00
abstract::The variation of the proton chemical shifts due to the formation intermolecular hydrogen bonds is computed for a number of complexes which can be formed between the bases of the nucleic acids. The shifts expected for the isolated base pairs, in particular for the G-N1 H, T(or U)-N3H protons and the protons of the amin...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/4.1.99
更新日期:1977-01-01 00:00:00
abstract::Cellular RNAs that do not function as messenger RNAs (mRNAs), transfer RNAs (tRNAs) or ribosomal RNAs (rRNAs) comprise a diverse class of molecules that are commonly referred to as non-protein-coding RNAs (ncRNAs). These molecules have been known for quite a while, but their importance was not fully appreciated until ...
journal_title:Nucleic acids research
pub_type: 杂志文章,评审
doi:10.1093/nar/gkj469
更新日期:2006-01-25 00:00:00
abstract::For the isolation of single stranded plasmid DNA, various E. coli and E. coli-Streptomyces shuttle plasmids were equipped with the phage f1 replication origin. The transformation of some representative Streptomyces species with plasmid vectors occurred irrespective of whether single or double stranded DNA was used. In...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/19.4.727
更新日期:1991-02-25 00:00:00
abstract::The reaction of fluorescamine with primary amino groups of tRNAs was investigated. The reagent was attached under mild conditions to the 3'-end of tRNAPhe-C-C-A(3'NH) from yeast and to the minor nucleoside x in E. coli tRNAArg, tRNALys, tRNAMet, tRNAIle and tRNAPhe. The primary aliphatic amino groups of these tRNAs re...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/5.12.4837
更新日期:1978-12-01 00:00:00
abstract::An oligonucleotide hybrid is described which possesses two triple helix forming oligonucleotides which have been connected by a flexible polymeric linker chain. As a prototype, binding of this class of oligonucleotide to duplex DNA has been studied using a segment of the HSV-1 D-glycoprotein promoter, which possesses ...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/21.20.4810
更新日期:1993-10-11 00:00:00
abstract::Naturally occurring hammerhead ribozymes are produced by rolling circle replication followed by self-cleavage. This results in monomer-length catalytic RNAs which have self-complementary sequences that can occupy their trans -binding domains and potentially block their ability to cleave other RNA strands. Here we show...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/28.3.776
更新日期:2000-02-01 00:00:00
abstract::Numerous RNA-binding proteins have modular structures, comprising one or several copies of a selective RNA-binding domain generally coupled to an auxiliary domain that binds RNA non-specifically. We have built and compared homology-based models of the cold-shock domain (CSD) of the Xenopus protein, FRGY2, and of the t...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/29.11.2223
更新日期:2001-06-01 00:00:00
abstract::Here, with the aim of obtaining insight into the intriguing selectivity of G-quadruplex (G4) ligands toward cancer compared to normal cells, a genetically controlled system of progressive transformation in human BJ fibroblasts was analyzed. Among the different comparative evaluations, we found a progressive increase o...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkv006
更新日期:2015-02-18 00:00:00
abstract::Translation initiation of eukaryotic mRNAs generally occurs by cap-dependent ribosome scanning. However, certain mRNAs contain internal ribosome entry sites (IRES) allowing cap-independent translation. Several of these IRES-competent transcripts and their corresponding proteins are involved in tumourigenesis. This stu...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkm096
更新日期:2007-01-01 00:00:00
abstract::In eukaryotic cells, the shortening and removal of the poly(A) tail of cytoplasmic mRNA by deadenylase enzymes is a critical step in post-transcriptional gene regulation. The ribonuclease activity of deadenylase enzymes is attributed to either a DEDD (Asp-Glu-Asp-Asp) or an endonuclease-exonuclease-phosphatase domain....
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkt972
更新日期:2014-03-01 00:00:00
abstract::Nucleic acids possess the unique property of being enzymatically amplifiable, and have therefore been a popular choice for the combinatorial selection of functional sequences, such as aptamers or ribozymes. However, amplification typically requires known sequence segments that serve as primer binding sites, which can ...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gks004
更新日期:2012-05-01 00:00:00
abstract::We report here the discovery of HMBP, a protein in nuclei of human T-helper lymphocytes and other human cell types, which binds with enhanced affinity to a promoter element in the HIV-1 long terminal repeat when that element is methylated at CpGs, the target site of the human DNA methyltransferase. This promoter eleme...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/21.24.5786
更新日期:1993-12-11 00:00:00
abstract::We have developed an effective post-PCR sterilization process and have applied the procedure to a diagnostic assay for HIV-1. The method, which is based on isopsoralen photochemistry, satisfies both the inactivation and hybridization requirements of a practical sterilization process. The key feature of the technique i...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/19.1.109
更新日期:1991-01-11 00:00:00
abstract::Site-directed RNA editing (SDRE) is a strategy to precisely alter genetic information within mRNAs. By linking the catalytic domain of the RNA editing enzyme ADAR to an antisense guide RNA, specific adenosines can be converted to inosines, biological mimics for guanosine. Previously, we showed that a genetically encod...
journal_title:Nucleic acids research
pub_type: 杂志文章
doi:10.1093/nar/gkw738
更新日期:2016-12-01 00:00:00