A preliminary structure for the DNA binding protein from bacteriophage IKe.

abstract：:Different post-translational changes in eye lens crystallin proteins contribute towards the development of cataract. We have studied in vitro oxidative modification of tryptophan (Trp) residues of human γD-crystallin (HGD) towards formation of N-formylkynurenine (NFK) associated with cataractogenesis. This oxidation w...

journal_title：Journal of biomolecular structure & dynamics

authors： Rana S,Sarmah S,Singha Roy A,Ghosh KS

更新日期：2020-03-18 00:00:00

abstract：:The preferred conformation of orexin-B, an orphan G-protein coupled receptor agonist (the human sequence is RSGPPGLQGRLQRLLQASGNHAAGILTM-NH(2)) has been determined by (1)H and (13)C 2D NMR spectroscopy and molecular modeling. Orexin-B has been implicated in sleep-wakefulness and feeding regulation. The membrane mimeti...

journal_title：Journal of biomolecular structure & dynamics

authors： Miskolzie M,Lucyk S,Kotovych G

更新日期：2003-12-01 00:00:00

abstract：:α-helices are the most common form of secondary structure found in proteins. In order to study controlled protein folding, as well as manipulate the interface of helical peptides with targets in protein-protein interactions, many techniques have been developed to induce and stabilize α-helical structure in short synth...

journal_title：Journal of biomolecular structure & dynamics

authors： Guarracino DA,Alabanza AM,Robertson CT,Sanghvi SS

更新日期：2015-01-01 00:00:00

abstract：:Continuum finite element material models used for traumatic brain injury lack local injury parameters necessitating nanoscale mechanical injury mechanisms be incorporated. One such mechanism is membrane mechanoporation, which can occur during physical insults and can be devastating to cells, depending on the level of ...

journal_title：Journal of biomolecular structure & dynamics

authors： Murphy MA,Mun S,Horstemeyer MF,Baskes MI,Bakhtiary A,LaPlaca MC,Gwaltney SR,Williams LN,Prabhu RK

更新日期：2019-03-01 00:00:00

abstract：:Phospholipases A(2) (PLA(2)) are enzymes commonly found in snake venoms from Viperidae and Elaphidae families, which are major components thereof. Many plants are used in traditional medicine as active agents against various effects induced by snakebite. This article presents the PLA(2) BthTX-I structure prediction ba...

journal_title：Journal of biomolecular structure & dynamics

authors： Hage-Melim LI,da Silva CH,Semighini EP,Taft CA,Sampaio SV

更新日期：2009-08-01 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：:A protein with the reversed direction of its polypeptide chain, retro-SHH, was analyzed by several spectroscopic techniques including circular dichroism and high-resolution NMR to understand its solution structure and structural consequences of interaction with the micelles formed by the zwitterionic detergent dodecyl...

journal_title：Journal of biomolecular structure & dynamics

authors： Kutyshenko VP,Prokhorov DA,Molochkov NV,Sharapov MG,Kolesnikov I,Uversky VN

更新日期：2014-01-01 00:00:00

abstract：:We previously reported on a mutant lipase KV1 (Mut-LipKV1) from Acinetobacter haemolyticus which optimal pH was raised from 8.0 to 11.0 after triple substitutions of surface aspartic acid (Asp) with lysine (Lys). Herein, this study further examined the Mut-LipKV1 by molecular docking, molecular dynamics (MD) simulatio...

journal_title：Journal of biomolecular structure & dynamics

authors： Anuar NFSK,Wahab RA,Huyop F,Amran SI,Hamid AAA,Halim KBA,Hood MHM

更新日期：2020-03-23 00:00:00

abstract：:A vast research has been conducted to find suitable and safe carriers for vital and pH-sensitive drugs including antibiotics. This article reports the use of easily accessible and abundant purified beta-lactoglobulin (β-LG) protein as the potential carrier of widely used Kanamycin (Kana) and Ciprofloxacin (Cip) antibi...

journal_title：Journal of biomolecular structure & dynamics

authors： Mehraban MH,Odooli S,Yousefi R,Roghanian R,Motovali-Bashi M,Moosavi-Movahedi AA,Ghasemi Y

更新日期：2017-07-01 00:00:00

abstract：:The possible role of the long-range interactions has been examined within the semiempirical approach for model doubly stranded DNA systems involving the screw symmetry operation. The interaction energy terms seem to be sensitive to the sequence of base pairs. The essential influence of long-range corrections to the pr...

journal_title：Journal of biomolecular structure & dynamics

authors： Chojnacki H,Laskowski Z

更新日期：1985-02-01 00:00:00

abstract：:We attempt to give an alternate point of view of the analysis by Roterman et al. (J. Biolmol. Struct. Dyn. 7,415 (1989]. In particular, we argue for the use of flexible geometry and explicit inclusion of solvent effects in analyzing phi, psi maps of peptides. ...

journal_title：Journal of biomolecular structure & dynamics

authors： Kollman PA,Dill KA

更新日期：1991-06-01 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：:Two naphthalene-containing compounds, 4-hydroxy-6,7-dimethoxy-1-(4-(trifluoromethyl)phenyl)-2-naphthoic acid (A) and 4-hydroxy-6,7-dimethoxy-1-phenyl-2-naphthoic acid (B), were prepared by several steps. Their bindings to human serum albumin (HSA) were studied by ultraviolet-visible (UV-vis) absorption, fluorescence, ...

journal_title：Journal of biomolecular structure & dynamics

authors： Wang X,Xing Y,Su J,Wang C,Wang Z,Yu Y,Xu H,Ma D

更新日期：2020-06-12 00:00:00

abstract：:-1 programmed ribosomal frameshifting (PRF) in viruses is often stimulated by a pseudoknot downstream from the slippery sequence. At the PRF junction of HIV-1, transmissible gastroenteritis virus (TGEV), Barmah Forest virus (BFV), Fort Morgan virus (FMV), and Equine arteritis virus (EAV), we identified potential doubl...

journal_title：Journal of biomolecular structure & dynamics

authors： Wang G,Yang Y,Huang X,Du Z

更新日期：2015-01-01 00:00:00

abstract：:The unavailability of vaccine and medicines raised serious issues during COVID-19 pandemic and peoples from different parts of world relied on traditional medicine for their immediate recovery from COVID-19 and it found effective also. The current research aims to target COVID-19 immunological human host receptors i.e...

journal_title：Journal of biomolecular structure & dynamics

authors： Noor H,Ikram A,Rathinavel T,Kumarasamy S,Nasir Iqbal M,Bashir Z

更新日期：2021-01-25 00:00:00

abstract：:In this work, an attempt has been made to study the interaction of four taiwaniaquinoids with fat mass and obesity-associated protein (FTO) by UV-vis absorption, fluorescence spectroscopy, and molecular docking techniques. The results indicated that taiwaniaquinoids effectively quenched the intrinsic fluorescence of F...

journal_title：Journal of biomolecular structure & dynamics

authors： Ren T,Zhang L,Wang J,Song C,Wang R,Chang J

更新日期：2017-11-01 00:00:00

abstract：:Glutamine synthetase (GS) of Mycobacterium tuberculosis (Mtb) is an essential enzyme which is involved in nitrogen metabolism and cell wall synthesis. It is involved in the inhibition of phagosome-lysosome fusion by preventing acidification. Targeting GS can be helpful to control the infection of Mtb. In order to iden...

journal_title：Journal of biomolecular structure & dynamics

authors： Kumari M,Subbarao N

更新日期：2020-10-01 00:00:00

abstract：:The SARS-CoV-2 is the causative agent of COVID-19 pandemic that is causing a global health emergency. The lack of targeted therapeutics and limited treatment options have triggered the scientific community to develop new vaccines or small molecule therapeutics against various targets of SARS-CoV-2. The main protease (...

journal_title：Journal of biomolecular structure & dynamics

authors： Bhardwaj VK,Singh R,Sharma J,Rajendran V,Purohit R,Kumar S

更新日期：2020-05-20 00:00:00

abstract：:Lymphatic filariasis is a debilitating vector borne parasitic disease that infects human lymphatic system by nematode Brugia malayi. Currently available anti-filarial drugs are effective only on the larval stages of parasite. So far, no effective drugs are available for humans to treat filarial infections. In this reg...

journal_title：Journal of biomolecular structure & dynamics

authors： Amala M,Rajamanikandan S,Prabhu D,Surekha K,Jeyakanthan J

更新日期：2019-02-01 00:00:00

abstract：:Alkylamine-substituted naphthalene imides and diimides bind DNA by intercalation and have applications as anticancer agents. The unique structures of these imides in which two adjacent carbonyl groups lie coplanar to an extended aromatic ring system allow the possibility of sequence-selective interactions between the ...

journal_title：Journal of biomolecular structure & dynamics

authors： Liu ZR,Hecker KH,Rill RL

更新日期：1996-12-01 00:00:00

abstract：:Biomembranes and lipid systems are rich in unsaturated lipid components and are subject to photo-induced lipid peroxidation. The peroxidized lipid products in cellular systems are known to affect the structural organization and function of the biomembrane. We employed molecular dynamics simulations to study the effect...

journal_title：Journal of biomolecular structure & dynamics

authors： Kumar S,Rana R,Yadav DK

更新日期：2020-03-05 00:00:00

abstract：:We study the CaM-peptide interactions for four CaM-related peptides with different calcium equivalents, using the hCaM-M124C-mBBr biosensor and Molecular Dynamics (MD). Due to the high sensitivity of the biosensor, we were able to calculate five Kds based on the number of calcium equivalents for each peptide, showing ...

journal_title：Journal of biomolecular structure & dynamics

authors： Sosa-Peinado A,León-Cruz E,Velázquez-López I,Matuz-Mares D,Cano-Sánchez P,González-Andrade M

更新日期：2020-10-30 00:00:00

abstract：:The binding of the anilido aminoacridine derivative amsacrine with the heme proteins, hemoglobin, and myoglobin, was characterized by various spectroscopic and calorimetric methods. The binding affinity to hemoglobin was (1.21 ± .05) × 105 M-1, while that to myoglobin was three times higher (3.59 ± .15) × 105 M-1. The...

journal_title：Journal of biomolecular structure & dynamics

authors： Bhowmik D,Suresh Kumar G

更新日期：2017-05-01 00:00:00

abstract：:Most β-Glucosidase (B8CYA8) are prone to inhibition by glucose. Experimentally observed specific activity of B8CYA8 on 20 mM, 50 mM, and 100 mM p-nitrophenyl-β-D-glucopyranoside (pNPGlc) substrate concentrations show surprise dependence on the presence of 0-3 M glucose at 335 K. We found that at high substrate concent...

journal_title：Journal of biomolecular structure & dynamics

authors： Konar S,Sinha SK,Datta S,Ghorai PK

更新日期：2020-07-28 00:00:00

abstract：:A stably-bound external binding site for ethidium cation in the major groove of B-form DNA is proposed. This complex is stabilized by hydrogen bonding between this ligand and the nucleophilic centers O6 and N7 of guanine, both of which are accessible via the major groove. This binding site is not the same as the well-...

journal_title：Journal of biomolecular structure & dynamics

authors： Monaco RR

更新日期：2007-10-01 00:00:00

abstract：:BCR-ABL fusion protein drives chronic myeloid leukemia (CML) which constitutively activates tyrosine kinase involved in the initiation and maintenance of CML phenotype. Ponatinib, an oral drug, was discovered as an efficient BCR-ABL inhibitor by addressing imatinib drug resistance arising due to the point mutations at...

journal_title：Journal of biomolecular structure & dynamics

authors： Melge AR,Kumar LG,K P,Nair SV,K M,C GM

更新日期：2019-11-01 00:00:00

abstract：:We studied the Tetrahymena thermophila rRNA IVS sequence with the aim of obtaining a model of the structure characterized by the bases proximity of the self-reactions sites. The considered sequence kept up those fragments essential for its catalytic activity as demonstrated by deletion mutants. The first step was the ...

journal_title：Journal of biomolecular structure & dynamics

authors： Benedetti G,Morosetti S

更新日期：1991-04-01 00:00:00

abstract：:Interaction between a cationic porphyrin and its ferric derivative with oligo(dA.dT)15 and oligo(dG.dC)15 was studied by UV-vis spectroscopy, resonance light scattering (RLS), and circular dichroism (CD) at different ionic strengths; molecular docking and molecular dynamics simulation were also used for completion. Fo...

journal_title：Journal of biomolecular structure & dynamics

authors： Bathaie SZ,Ajloo D,Daraie M,Ghadamgahi M

更新日期：2015-01-01 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：:EhCPADH is a protein complex involved in the virulence of Entamoeba histolytica, the protozoan responsible for human amebiasis. It is formed by the EhCP112 cysteine protease and the EhADH adhesin. To explore the molecular basis of the complex formation, three-dimensional models were built for both proteins and molecul...

journal_title：Journal of biomolecular structure & dynamics

authors： Montaño S,Orozco E,Correa-Basurto J,Bello M,Chávez-Munguía B,Betanzos A

更新日期：2017-02-01 00:00:00