Dancing with Trojan horses: an interplay between the extracellular vesicles and viruses.

abstract：:The molecular structure of poly (I).poly (A).poly (I) has been determined and refined using the continuous intensity data on layer lines in the x-ray diffraction pattern obtained from an oriented fiber of this polymorphic RNA complex. The polymer forms a 12-fold right-handed triple-helix of pitch 39.7A and each base-t...

journal_title：Journal of biomolecular structure & dynamics

authors： Chandrasekaran R,Giacometti A,Arnott S

更新日期：2000-06-01 00:00:00

abstract：:Trichoderma spp. are well-known bioagents for the plant growth promotion and pathogen suppression. The beneficial activities of the fungus Trichoderma spp. are attributed to their ability to produce and secrete certain secondary metabolites such as trichodermin that belongs to trichothecene family of molecules. The in...

journal_title：Journal of biomolecular structure & dynamics

authors： Kumari I,Chaudhary N,Sandhu P,Ahmed M,Akhter Y

更新日期：2016-06-01 00:00:00

abstract：:Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline cytidine at 295 K and high pressures by evaluating the logarithmic derivative of the vibrational frequency ω with respect to pressure P: [Formula: see text]. Crystalline samples of molecular materials hav...

journal_title：Journal of biomolecular structure & dynamics

authors： Lee SA,Pinnick DA,Anderson A

更新日期：2015-01-01 00:00:00

abstract：:Triplex and duplex formation of two deoxyribohexadecamers d-A-(G-A)-G (a) and d-C-(T-C)-T (b) have been studied by UV, CD, fluorescence, and proton NMR spectroscopy. Optical studies of a and b at dilute concentrations (microM range) yielded results similar to those seen for polymers of the same sequence, indicating th...

journal_title：Journal of biomolecular structure & dynamics

authors： Kan LS,Callahan DE,Trapane TL,Miller PS,Ts'o PO,Huang DH

更新日期：1991-04-01 00:00:00

abstract：:Propanidid is an intravenous anesthetic with transient action and rapid recovery features, but it is clinically unacceptable due to its side effects. AZD-3043, an analog of propanidid with the methoxy group substituted by the ethoxy group, has become the focus of recent development efforts. Although propanidid and AZD...

journal_title：Journal of biomolecular structure & dynamics

authors： Wang S,Liu Q,Li X,Zhao X,Qiu L,Lin J

更新日期：2018-11-01 00:00:00

abstract：:The nature of the H-bonds between the human protein HLA-DR1 (DRB*0101) and the hemagglutinin peptide HA306-318 has been studied using the Quantum Theory of Atoms in Molecules for the first time. We have found four H-bond groups: one conventional CO··HN bond group and three nonconventional CO··HC, π··HC involving aroma...

journal_title：Journal of biomolecular structure & dynamics

authors： Aray Y,Aguilera-García R,Izquierdo DR

更新日期：2019-01-01 00:00:00

abstract：:Solvent properties of aqueous media (dipolarity/polarizability, hydrogen bond donor acidity, and hydrogen bond acceptor basicity) were measured in the coexisting phases of Dextran-PEG aqueous two-phase systems (ATPSs) containing .5 and 2.0 M urea. The differences between the electrostatic and hydrophobic properties of...

journal_title：Journal of biomolecular structure & dynamics

authors： Ferreira LA,Povarova OI,Stepanenko OV,Sulatskaya AI,Madeira PP,Kuznetsova IM,Turoverov KK,Uversky VN,Zaslavsky BY

更新日期：2017-01-01 00:00:00

abstract：:The so-called CCAAT box is believed to be a major promoter element of higher eukaryotes though it is ill-defined being deduced from very limited sequence data. The comprehensive computer analysis of an unbiased set of 168 promoters presented here removes several of the persisting uncertainties. In particular, it delin...

journal_title：Journal of biomolecular structure & dynamics

authors： Bucher P,Trifonov EN

更新日期：1988-06-01 00:00:00

abstract：:Three dimensional models of NB-ARC domains in five different proteins were constructed based on the recently published crystal structure of the apoptotic protease activating factor 1, of which two are for tomato species, one each for flax, Arabidopsis, and nematode. Standard multiple sequence alignment was performed f...

journal_title：Journal of biomolecular structure & dynamics

authors： Chattopadhyaya R,Pal A

更新日期：2008-02-01 00:00:00

abstract：:Supercoiling causes global twist of DNA structure and the supercoiled state has wide influence on conformational transition. A statistical mechanical approach was made for prediction of the transition probability to non-B DNA structures under torsional stress. A conditional partition function was defined as the sum ov...

journal_title：Journal of biomolecular structure & dynamics

authors： Katsura S,Makishima F,Nishimura H

更新日期：1993-02-01 00:00:00

abstract：:We report here two new small-size peptides acting as modulators of the β-site APP cleaving enzyme 1 (BACE1) exosite. Ac-YPYFDPL-NH2 and Ac-YPYDIPL-NH2 displayed a moderate but significant inhibitory effect on BACE1. These peptides were obtained from a molecular modeling study. By combining MD simulations with ab initi...

journal_title：Journal of biomolecular structure & dynamics

authors： Gutierrez LJ,Angelina E,Gyebrovszki A,Fülöp L,Peruchena N,Baldoni HA,Penke B,Enriz RD

更新日期：2017-02-01 00:00:00

abstract：:The structural and energetical characteristics of the complexes formed between two auto-complementary DNA dodecamers, d(CGCGAATTCGCG)2, and d(GCGCAATTGCGC)2, and two novel netropsin (I) and glycine-netropsin (II) conjugates of a tricationic water-soluble porphyrin are investigated in detail by means of theoretical com...

journal_title：Journal of biomolecular structure & dynamics

authors： Perrée-Fauvet M,Gresh N

更新日期：1994-06-01 00:00:00

abstract：:During translation, aminoacyl-tRNA synthetases recognize the identities of the tRNAs to charge them with their respective amino acids. The conserved identities of 58,244 eukaryotic tRNAs of 24 invertebrates and 45 vertebrates in genomic tRNA database were analyzed and their novel features extracted. The internal promo...

journal_title：Journal of biomolecular structure & dynamics

authors： Mitra S,Das P,Samadder A,Das S,Betai R,Chakrabarti J

更新日期：2015-01-01 00:00:00

abstract：:Donepezil is an acetylcholinesterase inhibitor (AChEI) in use to treat symptomatic patients of mild to moderate Alzheimer's disease (AD). Ferritin is an iron protein associated with storage and sequestration of excess ferrous iron in a way maintaining proper function of cellular processes and plays a key role in AD si...

journal_title：Journal of biomolecular structure & dynamics

authors： Shahwan M,Khan MS,Husain FM,Shamsi A

更新日期：2020-11-23 00:00:00

abstract：:Distribution functions for intra- and inter- HIV-1 V3-loop subtypes amino acid Hamming distances were calculated (850 V3-loop sequences from the Los Alamos HIV-1 Database (1996) were used). These functions have pronounced bell-like shape. Such shapes of the histograms for HIV-1 V3 intra- and inter-subtype distriutions...

journal_title：Journal of biomolecular structure & dynamics

authors： Shchelkanov MYu,Starikov NS,Yaroslavtsev IV,Tsvetkov PO,Yudin AN,Denisov MV,Slavsky AA,Vedenov AA,Karamov EV

更新日期：1998-04-01 00:00:00

abstract：:A modelling procedure has been utilized to obtain a preliminary three-dimensional structural model for the bacteriophage IKe DNA binding protein (IKe-DBP) based on the known high resolution X-ray diffraction structure of a functionally related protein (G5BP) from bacteriophage fd. The degree of structural homology obs...

journal_title：Journal of biomolecular structure & dynamics

authors： Brayer GD

更新日期：1987-04-01 00:00:00

abstract：:Tris-intercalation of an acridine trimer into the self-complementary dodecanucleotide d(CTTCGCGCGAAG) has been studied, in solution, by means of 1H and 31P nuclear magnetic resonance. In a first step all the non-exchangeable protons (except H5', H5"), the imino protons and seven of the eleven phosphorus have been assi...

journal_title：Journal of biomolecular structure & dynamics

authors： Laugaa P,Delepierre M,Dupraz B,Igolen J,Roques BP

更新日期：1988-12-01 00:00:00

abstract：:Complexes of NaDNA with the bipyridyl-(ethylenediamine)platintum(II) (abbreviated [(bipy)Pt(en)]2+) molecular ion have been studied in solution via ultraviolet absorption experiments at 260 nm between 50 and 90 degrees C. These measurements, performed as a function of the molar ratio of the [(bipy)Pt(en)]2+ complex to...

journal_title：Journal of biomolecular structure & dynamics

authors： Szabó S,Lee SA

更新日期：2008-08-01 00:00:00

abstract：:The EPR study of spin labeled macromolecules has provided insight into structural and dynamical properties of DNA, proteins, and related systems. While spin labeling has been useful, it is experimentally difficult to determine if the spin label significantly alters the conformation of the macromolecule to which it is ...

journal_title：Journal of biomolecular structure & dynamics

authors： Darian E,Gannett PM

更新日期：2005-04-01 00:00:00

abstract：:Non-obstructive azoospermia (NOA) is the most clinical problem in case of infertility. About 70% of NOA patients are idiopathic with uncharacterized molecular mechanisms. This study aimed to analyze the possible pathogenic miRNA-target gene interaction and lncRNA-miRNA association involved in NOA. In the current study...

journal_title：Journal of biomolecular structure & dynamics

authors： Sabetian S,Zarei M,Jahromi BN,Morowvat MH,Tabei SMB,Cava C

更新日期：2021-01-26 00:00:00

abstract：:Analogues of purine bases are highly relevant in the biological context and have been implicated as drug molecules for therapy against a number of diseases. Additionally, these molecules have been implicated to have a role in the prebiotic RNA world. However, experimental data on the structures of these molecules in a...

journal_title：Journal of biomolecular structure & dynamics

authors： Gogia S,Puranik M

更新日期：2014-01-01 00:00:00

abstract：:Target evaluation is at the centre of rational drug design and biologics development. In order to successfully engineer antibodies, T-cell receptors or small molecules it is necessary to identify and characterise potential binding or contact sites on therapeutically relevant target proteins. Currently, there are numer...

journal_title：Journal of biomolecular structure & dynamics

authors： Kanapeckaitė A,Beaurivage C,Hancock M,Verschueren E

更新日期：2020-12-10 00:00:00

abstract：:Our previous work on structural polymorphism shown at a single nucleotide polymorphism (SNP) (A → G) site located on HS4 region of locus control region (LCR) of β-globin gene has established a hairpin → duplex equilibrium corresponding to A → B like DNA transition (Kaushik M, Kukreti, R., Grover, D., Brahmachari, S.K....

journal_title：Journal of biomolecular structure & dynamics

authors： Kaushik M,Kukreti S

更新日期：2015-01-01 00:00:00

abstract：:Simple molecular docking calculations on quercetin, kojic acid and diethylcarbamatodithoic acid using the software package MOE are shown to be close to the geometries reported in the X-ray crystal structures of the protein co-crystallized with the respective ligands. Furthermore, DFT optimization of the docked conform...

journal_title：Journal of biomolecular structure & dynamics

authors： Malkhasian AY,Howlin BJ

更新日期：2016-11-01 00:00:00

abstract：:Self-association of α-synuclein (αS) into pathogenic oligomeric species and subsequent formation of highly ordered amyloid fibrils is linked to the Parkinson's disease. So most of the recent studies are now focused on the development of potential therapeutic strategies against this debilitating disease. β-synuclein (β...

journal_title：Journal of biomolecular structure & dynamics

authors： Sanjeev A,Sahu RK,Mattaparthi VSK

更新日期：2017-11-01 00:00:00

abstract：:Visible and near infrared magnetic circular dichroism (MCD) spectra of heme proteins and enzymes as well as those of a protein-free heme bound to 2-methylimidazole were recorded and compared at 4.2 K in unrelaxed metastable and relaxed equilibrium heme stereochemistry. The relaxed and unrelaxed stereochemistries of a ...

journal_title：Journal of biomolecular structure & dynamics

authors： Sharonov YuA,Pismensky VF,Yarmola EG

更新日期：1989-08-01 00:00:00

abstract：:NPC1 is a 25-exon gene located on the long arm of chromosome 18q11.2 and encodes NPC1, a transmembrane protein comprising 1278 amino acid residues. Mutations in the NPC1 gene can cause Niemann-Pick disease type C (NP-C), a rare autosomal-recessive neurovisceral disease. We assessed mutant protein folding using compute...

journal_title：Journal of biomolecular structure & dynamics

authors： Martínez-Archundia M,Hernández Mojica TG,Correa-Basurto J,Montaño S,Camacho-Molina A

更新日期：2020-08-01 00:00:00

abstract：:Within the five classes (α, β, γ, δ, and ζ) of carbonic anhydrases (CAs) the first two, containing mammal and plant representatives, are the most studied among all CAs. In this study, we have focused our investigation on the beta-class carbonic anhydrase of Methanobacterium thermoautotrophicum. We investigated both th...

journal_title：Journal of biomolecular structure & dynamics

authors： Bracht F,de Alencastro RB

更新日期：2016-01-01 00:00:00

abstract：:The insertion of viral DNA into the host chromosome is an essential step in the replication of HIV-1, and is carried out by an enzyme, HIV-1 integrase (IN). Since the latter has no human cellular counterpart, it is an attractive target for antiviral drug design. Several IN inhibitors having activities in the micromola...

journal_title：Journal of biomolecular structure & dynamics

authors： Rao GS,Bhatnagar S,Ahuja V

更新日期：2002-08-01 00:00:00

abstract：:The (+) anti isomer of benz[a]pyrene diol epoxide (BPDE), 7 beta, 8 alpha-dihydroxy-9 alpha, 10 alpha-epoxy-7,8,9,10-tetrahydrobenz [a] pyrene has been identified as the probable tumorigenic lesion in mammalian systems. It forms a predominant adduct with DNA at N2 of guanine. In order to elucidate its conformation in ...

journal_title：Journal of biomolecular structure & dynamics

authors： Hingerty B,Broyde S

更新日期：1983-12-01 00:00:00