Handedness of structural units depends on their mutual arrangement in protein structure.

abstract：:The conformational changes of poly(d2NH2A-dT) in aqueous solution, induced by increasing the NaCl concentration from 0.1M to 4M, have been monitored by ultraviolet resonance Raman spectroscopy, in using the 222-, 257- and 281 nm excitation wavelengths. These changes have been interpreted in comparing the polymer spect...

journal_title：Journal of biomolecular structure & dynamics

authors： Mojzes P,Chinsky L,Turpin PY,Miskovsky P

更新日期：1992-08-01 00:00:00

abstract：:In negatively supercoiled DNA molecules some inverted repeat sequences adopt a perturbed conformation which is characterised by the following properties. They are centrally hypersensitive to single-strand-specific nucleases such as S1, and to a much lower extent the flanking regions may also be sensitive. They are als...

journal_title：Journal of biomolecular structure & dynamics

authors： Lilley DM,Hallam LR

更新日期：1983-10-01 00:00:00

abstract：:Current research has shown cell-penetrating peptides and antimicrobial peptides (AMPs) as probable vectors for use in drug delivery and as novel antibiotics. It has been reported that the higher the therapeutic index (TI) the higher would be the bacterial cell penetrating ability. To the best of our knowledge, no in-s...

journal_title：Journal of biomolecular structure & dynamics

authors： Faya M,Kalhapure RS,Dhumal D,Agrawal N,Omolo C,Akamanchi KG,Govender T

更新日期：2019-06-01 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：:Drug efflux pumps (EP) like Mmr in Mycobacterium transported drugs out of cell, a main reason for drug resistance developing in Mycobacterium tuberculosis. In this in silico study, mainly analysed EP inhibitory potential of a plant-derived flavonoid, quercetin, through docking analysis. Mmr present in Mycobacterium sm...

journal_title：Journal of biomolecular structure & dynamics

authors： Suriyanarayanan B,Sarojini Santhosh R

更新日期：2015-01-01 00:00:00

abstract：:Resonance Raman spectra with Q-band excitation are reported for microperoxidase-11, the cytochrome c analog. Spectra were acquired in the mid-frequency range for the oxidized, and reduced forms of the undecapeptide, as well as for the imidazole and carbonyl complexes. Oxidation and spin state marker bands of the undec...

journal_title：Journal of biomolecular structure & dynamics

authors： Laberge M,Vreugdenhil AJ,Vanderkooi JM,Butler IS

更新日期：1998-06-01 00:00:00

abstract：:In view of the low toxicity of NNRTIs in comparison to NRTIs, a new series of diarylpyrimidine derivatives has been designed as NNRTIs against HIV-1. In silico studies using DS 3.0 software have shown that these compounds behaved as NNRTIs while interacting at the allosteric site of HIV-RT. The designed compounds have...

journal_title：Journal of biomolecular structure & dynamics

authors： Singh VK,Srivastava R,Gupta PSS,Naaz F,Chaurasia H,Mishra R,Rana MK,Singh RK

更新日期：2020-04-11 00:00:00

abstract：:Breast cancer (BC) is the second most prevalent cancer worldwide. Estrogen receptor beta (ERβ) is an essential protein of breast cells to suppress estrogen-induced uncontrolled proliferation. Thus, small molecules that can modulate and enhance ERβ expression would be an effective agent to suppress BC development. Stud...

journal_title：Journal of biomolecular structure & dynamics

authors： Bhattacharjee A,Hossain MU,Chowdhury ZM,Rahman SMA,Bhuyan ZA,Salimullah M,Keya CA

更新日期：2020-03-11 00:00:00

abstract：:The conjugation of trypsin (try) and trypsin inhibitor (tryi) with poly(ethylene glycol) (PEG) and methoxypoly(ethylene glycol) anthracene (mPEG-anthracene) was investigated in aqueous solution, using multiple spectroscopic methods, thermodynamic analysis, and molecular modeling. Thermodynamic parameters ΔS, ΔH, and Δ...

journal_title：Journal of biomolecular structure & dynamics

authors： Chanphai P,Agudelo D,Tajmir-Riahi HA

更新日期：2017-08-01 00:00:00

abstract：:The coexistence of both A form and B form tracts and formation of an A-B junction in the oligomer d(GGGGGTTTTT).d(AAAAACCCCC) in saturated sodium chloride solution have been detected by Raman spectroscopy. The entire duplex adopts the familiar B-form conformation in aqueous solution at low salt concentrations (0.1M Na...

journal_title：Journal of biomolecular structure & dynamics

authors： Wang Y,Thomas GA,Peticolas WL

更新日期：1989-06-01 00:00:00

abstract：:Geometry optimizations and energy calculations have been carried out via molecular orbital methods at the density functional B3LYP/LANL2DZ level on the molecules PO3-, OPO3(3-), HOPO3(2-), CH3OPO3(2-), H(CH3OPO3)-, O(PO3)2(4-), HO(PO3)2(3-), CH2(PO3)2(4-), (CH3OPO2)O(PO3)3-, O(PO3)3(5-), HO(PO3)3(4-), (PO3)3(3-), (CH3...

journal_title：Journal of biomolecular structure & dynamics

authors： Cini R,Chindamo D,Catenaccio M,Lorenzini S,Marcolongo R

更新日期：2000-08-01 00:00:00

abstract：:Malaria remains one of the most important infectious diseases in the world. Plasmodial cysteine proteases are proposed to be promising targets for novel antimalarial drug design. Vivapain-2 and vivapain-3 are cysteine proteases from Plasmodium vivax and apparent orthologs of falcipain-2 and falcipain-3 from Plasmodium...

journal_title：Journal of biomolecular structure & dynamics

authors： Desai PV,Avery MA

更新日期：2004-06-01 00:00:00

abstract：:Relative humidity induces the reversible crystal transition of guanosine between the dihydrate and the anhydrous state. The characteristics of the transition was investigated by means of X-ray powder diffraction analysis and high-resolution solid-state 13C NMR spectroscopy. Adsorption-desorption hysteresis was observe...

journal_title：Journal of biomolecular structure & dynamics

authors： Sugawara Y,Iimura Y,Iwasaki H,Urabe H,Saito H

更新日期：1994-02-01 00:00:00

abstract：:Fpg protein (formamidopyrimidine or 8-oxoguanine DNA glycosylase) from E. coli catalyzes excision of several damaged purine bases, including 8-oxoguanine and 2,6-diamino-4-hydroxy-5-N-methylformamidopyrimidine from DNA. In this study the interaction of E. coli Fpg with various specific and nonspecific oligodeoxynucleo...

journal_title：Journal of biomolecular structure & dynamics

authors： Ishchenko AA,Koval VV,Fedorova OS,Douglas KT,Nevinsky GA

更新日期：1999-10-01 00:00:00

abstract：:The guanine-rich sequence, specifically in DNA, telomeric DNA, is a potential target of anticancer drugs. In this work, a mononuclear Fe(III) complex containing two meloxicam ligands was synthesized as a G-quadruplex stabilizer. The interaction between the Fe(III) complex and G-quadruplex with sequence of 5'-G3(T2AG3)...

journal_title：Journal of biomolecular structure & dynamics

authors： Ebrahimi M,Khayamian T,Hadadzadeh H,Sayed Tabatabaei BE,Jannesari Z,Khaksar G

更新日期：2015-01-01 00:00:00

abstract：:The molecular recognition and discrimination of very similar ligand moieties by proteins are important subjects in protein-ligand interaction studies. Specificity in the recognition of molecules is determined by the arrangement of protein and ligand atoms in space. The three pyrimidine bases, viz. cytosine, thymine, a...

journal_title：Journal of biomolecular structure & dynamics

authors： Usha S,Selvaraj S

更新日期：2014-01-01 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：:The funnel shaped energy landscape model of the protein folding suggests that progression of folding proceeds through multiple pathways, having the multiple intermediates which leads to multidimensional free-energy surface. Herein, we applied all-atom MD simulation to conduct a comparative study on the structure of β-...

journal_title：Journal of biomolecular structure & dynamics

authors： Singh R,Meena NK,Das T,Sharma RD,Prakash A,Lynn AM

更新日期：2020-10-01 00:00:00

abstract：:p21-activated kinases (Paks) play an integral component in various cellular diverse processes. The full activation of Pak is dependent upon several serine residues present in the N-terminal region, a threonine present at the activation loop, and finally the phosphorylation of these residues ensure the complete activat...

journal_title：Journal of biomolecular structure & dynamics

authors： Biswal J,Jayaprakash P,Suresh Kumar R,Venkatraman G,Poopandi S,Rangasamy R,Jeyaraman J

更新日期：2020-01-01 00:00:00

abstract：:Methylation of DNA occurs most readily at N(3), N(7), and O(6) of purine bases and N(3) and O(2) of pyrimidines. Methylated bases are continuously formed through endogenous and exogenous mechanisms. The results of a theoretical ab initio study on the methylation of G:C base pair components are reported. The geometries...

journal_title：Journal of biomolecular structure & dynamics

authors： Forde G,Flood A,Salter L,Hill G,Gorb L,Leszczynski J

更新日期：2003-06-01 00:00:00

abstract：:Human C5a (hC5a), one of the pro-inflammatory glycoproteins of the complement system is known to undergo production hyperdrive in response to stress and infection. hC5a has been associated with the pathogenesis of many chronic and acute diseases, due to its proven ability in triggering the 'cytokine storm', by binding...

journal_title：Journal of biomolecular structure & dynamics

authors： Mishra R,Behera LM,Rana S

更新日期：2020-09-15 00:00:00

abstract：:Abstract Neuropeptide Y (NPY), receptors belong to the G-protein coupled receptor superfamily. NPY mediates several physiological responses, such as blood pressure, food intake, sedation. These actions of NPY are mediated by six receptor subtypes denoted as Y(1)-Y(5) and y(6). Modeling of receptor subtypes and bindi...

journal_title：Journal of biomolecular structure & dynamics

authors： Jois SD,Nagarajarao LM,Prabhakaran M,Balasubramaniam A

更新日期：2004-08-01 00:00:00

abstract：:MutSα is the most abundant mismatch-binding factor of human DNA mismatch repair (MMR) proteins. MMR maintains genetic stability by recognizing and repairing DNA defects. Failure to accomplish their function may lead to cancer. In addition, MutSα recognizes at least some types of DNA damage making it a target for antic...

journal_title：Journal of biomolecular structure & dynamics

authors： Negureanu L,Salsbury FR Jr

更新日期：2014-01-01 00:00:00

abstract：:The intercalative binding of chiral tris(phenanthroline) metal complexes to DNA is stereo-selective. The enantiomeric selectivity is based upon the differential steric interactions between the two non-intercalating phenanthroline ligands of each isomer with the DNA phosphate backbone. Gel electrophoretic assays of hel...

journal_title：Journal of biomolecular structure & dynamics

authors： Barton JK

更新日期：1983-12-01 00:00:00

abstract：:First case of the present epidemic, coronavirus disease (COVID-19) is reported in the Wuhan, a city of the China and all the countries throughout the world are being affected. COVID-19 is named by World Health Organization and it stands for coronavirus disease-19. As on 27th October, 2020, 73,776,588 people around the...

journal_title：Journal of biomolecular structure & dynamics

authors： Kumar A,Kumar D,Kumar R,Singh P,Chandra R,Kumari K

更新日期：2020-11-03 00:00:00

abstract：:Binding interactions of the phenazinium dye Janus green blue (JGB) with human and bovine serum albumins (BSA - and BSA) have been explored for the first time from multi-spectroscopic and calorimetric measurements aided by in silico calculations. The formation of ground state complexes between JGB and the respective se...

journal_title：Journal of biomolecular structure & dynamics

authors： Saha S,Bhattacharjee S,Chowdhury J

更新日期：2021-01-07 00:00:00

abstract：:The binding of quinolones, nalidixic acid (Nal), oxolinic acid (Oxo) with double stranded polynucleotides was undertaken by using UV-melting, UV-Vis absorption, fluorescence and CD spectroscopic techniques. The binding of Nal or Oxo to the polynucleotides under low-salt buffer conditions were determined for poly (dA)....

journal_title：Journal of biomolecular structure & dynamics

authors： Jain A,Rajeswari MR

更新日期：2002-10-01 00:00:00

abstract：:Traditional approaches for macromolecular structure elucidation, including NMR, crystallography and cryo-EM have made significant progress in defining the structures of protein-protein complexes. A substantial number of macromolecular structures, however, have not been examined with atomic detail due to sample size an...

journal_title：Journal of biomolecular structure & dynamics

authors： Goldsmith SC,Guan JQ,Almo S,Chance M

更新日期：2001-12-01 00:00:00

abstract：:Coumarin molecules have biological activities possessing lipid-controlling activity, anti-hepatitis C activity, anti-diabetic, anti-Parkinson activity, and anti-cancer activity. Here, we have presented an inclusive study on the interaction of 8-substituted-7-hydroxy coumarin derivatives (Umb-1/Umb-2) with α-1-glycopro...

journal_title：Journal of biomolecular structure & dynamics

authors： Yeggoni DP,Manidhar DM,Suresh Reddy C,Subramanyam R

更新日期：2016-09-01 00:00:00

abstract：:Polar mutations in transmembrane alpha helices may alter the structural details of the hydrophobic sequences and control intermolecular contacts. We have performed molecular dynamics simulations on the transmembrane domain of the proto-oncogenic and the oncogenic forms of the Neu receptor in a fluid DMPC bilayer to te...

journal_title：Journal of biomolecular structure & dynamics

authors： Samna Soumana O,Aller P,Garnier N,Genest M

更新日期：2005-08-01 00:00:00