Expression, purification and molecular modeling of the NIa protease of Cardamom mosaic virus.

abstract：:Non-homologous end joining (NHEJ) is a major DNA double strand breaks (DSBs) repair pathway that maintains genome integrity. However, this pathway may reduce radiotherapy efficacy by repairing DSBs on cancer cells. This research reported a computer-aided drug design (CADD) method to identify novel inhibitors from trad...

journal_title：Journal of biomolecular structure & dynamics

authors： Sun MF,Chang TT,Chang KW,Huang HJ,Chen HY,Tsai FJ,Lin JG,Chen CY

更新日期：2011-06-01 00:00:00

abstract：:Mutations of any subunit of the troponin complex may lead to serious disorders. Rational approaches to managing these disorders require knowledge of the complex interactions among the three subunits that are required for proper function. Molecular dynamics (MD) simulations were performed for both skeletal (sTn) and ca...

journal_title：Journal of biomolecular structure & dynamics

authors： Varughese JF,Chalovich JM,Li Y

更新日期：2010-10-01 00:00:00

abstract：:P21-activated kinase-1 (PAK1) is an enzyme associated with multiple metabolic networks and different types of cancers. Hence, there is a need to study the global network map of PAK1 to understand its role and regulatory mechanisms by means of its significant molecular interactive partners. This will help to explore it...

journal_title：Journal of biomolecular structure & dynamics

authors： Yellapu NK,Pulaganti M,Pakala SB

更新日期：2017-08-01 00:00:00

abstract：:All major suggestions about the nucleosome positioning sequence pattern(s) are overviewed. Two basic binary periodical patterns are well established: in purine/pyrimidine alphabet - YRRRRRYYYYYR and in strong/weak alphabet -SWWWWWSSSSSW. Their merger in four-letter alphabet sequence coincides with first ever complete ...

journal_title：Journal of biomolecular structure & dynamics

authors： Trifonov EN

更新日期：2010-06-01 00:00:00

abstract：:Abstract Using high frequency antiphase NMR spectroscopy and computer simulations of the antiphase spectra, we studied the equlibria in the sugar conformations in the DNA duplex 11-mer containing the AAA tract surrounded by cytosines. We demonstrate that at the 3'-end of the A-tract, the sugar switches from the comm...

journal_title：Journal of biomolecular structure & dynamics

authors： Kamath S,Sarma MH,Zhurkin VB,Turner CJ,Sarma RH

更新日期：2000-01-01 00:00:00

abstract：:Communicated by Ramaswamy H. Sarma. ...

journal_title：Journal of biomolecular structure & dynamics

authors： Ganjoo A,Tripathi A,Chetti P

更新日期：2020-10-01 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：:The assembly and maturation of viruses with icosahedral capsids must be coordinated with icosahedral symmetry. The icosahedral symmetry imposes also the restrictions on the cooperative specific interactions between genomic RNA/DNA and coat proteins that should be reflected in quasi-regular segmentation of viral genomi...

journal_title：Journal of biomolecular structure & dynamics

authors： Chechetkin VR,Lobzin VV

更新日期：2019-06-01 00:00:00

abstract：:The model of spatial structure for the principal neutralizing determinant (PND) of the HIV-1 envelope protein gp120 is proposed in terms of two-dimensional nuclear Overhauser effect (NOE) spectroscopy data. To build the model, the NMR-based theoretical conformational analysis of synthetic PND peptides of length 40, 24...

journal_title：Journal of biomolecular structure & dynamics

authors： Andrianov AM

更新日期：1999-02-01 00:00:00

abstract：:Stoichiometric amounts of poly-L-lysine were added to site-specifically spin labeled single stranded nucleic acids and the resulting complexes analyzed by electron spin resonance spectroscopy (ESR). The nucleic acids were spin labeled to different extents and with labels of varying tether length. The ESR data are used...

journal_title：Journal of biomolecular structure & dynamics

authors： Bobst AM,Kao SC,Bobst EV,Pauly GT

更新日期：1985-10-01 00:00:00

abstract：:Acid-induced structural changes of a mouse IgG2a monoclonal antibody (MN12) as indicated by Jiskoot et al. (Eur. J. Biochem. 201,223-232 (1991)) were studied by measuring the transient electric birefringence of MN12 in aqueous solution and in glycerol-water mixtures at different pH conditions. A multi-exponential anal...

journal_title：Journal of biomolecular structure & dynamics

authors： van Haeringen B,Jiskoot W,van Grondelle R,Bloemendal M

更新日期：1992-04-01 00:00:00

abstract：:Plasma membrane of each micro-organism has a unique set of lipid composition as a consequence of the environmental adaptation or a response to exposure to antimicrobial peptides (AMPs) as antibiotic agents. Understanding the relationship between lipid composition and action of antimicrobial peptides or considering how...

journal_title：Journal of biomolecular structure & dynamics

authors： Rahmanpour A,Ghahremanpour MM,Mehrnejad F,Moghaddam ME

更新日期：2013-12-01 00:00:00

abstract：:The interaction between two proton pump inhibitors viz., omeprazole (OME) and esomeprazole (EPZ) with human serum albumin (HSA) was studied by fluorescence, absorption, circular dichroism (CD), Fourier transform infrared spectroscopy (FT-IR), voltammetry, and molecular modeling approaches. The Stern-Volmer quenching c...

journal_title：Journal of biomolecular structure & dynamics

authors： Pawar SK,Punith R,Naik RS,Seetharamappa J

更新日期：2017-11-01 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：:A theoretical study is presented of the energetic and structural properties of covalent adducts of benzo[a]pyrene and a DNA fragment. Energy optimisation is performed with the use of minimiser with constraints and an advanced semiempirical energy formula. Three types of adducts are studied: an external complex with th...

journal_title：Journal of biomolecular structure & dynamics

authors： Zakrzewska K,Pullman B

更新日期：1987-04-01 00:00:00

abstract：:Alzheimer's disease (AD) is the most common progressive neurodegenerative brain disorder. It is characterized by the presence of extracellular aggregated fibrillary form of amyloid beta (Aβ) peptide and intraneuronal neurofibrillary tangles caused by the hyperphosphorylation of tau protein. Monomeric form of Aβ peptid...

journal_title：Journal of biomolecular structure & dynamics

authors： Dutta N,Borah P,Mattaparthi VSK

更新日期：2020-03-02 00:00:00

abstract：:Minidumbbell (MDB) is a newly found non-B DNA structure formed by short single-strand sequences. Up to now, three MDBs have been reported to form at neutral pH by sequences containing two repeats of TTTA, CCTG and CTTG. Among them, the thermodynamically less stable TTTA and CCTG MDBs have been proposed to be the struc...

journal_title：Journal of biomolecular structure & dynamics

authors： Guo P,Lam SL

更新日期：2020-04-01 00:00:00

abstract：:To explore the anticancer compounds from tormentic acid derivatives, a quantitative structure-activity relationship (QSAR) model was developed by the multiple linear regression methods. The developed QSAR model yielded a high activity-descriptors relationship accuracy of 94% referred by regression coefficient (r2 = .9...

journal_title：Journal of biomolecular structure & dynamics

authors： Alam S,Khan F

更新日期：2018-07-01 00:00:00

abstract：:In search of suitable therapy for the management of Alzheimer's disease, this study was designed to evaluate metal complexes against its biochemical targets. Zinc metal carboxylates (AAZ1-AAZ6) were evaluated against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The antioxidant in combination with anti...

journal_title：Journal of biomolecular structure & dynamics

authors： Zafar R,Zubair M,Ali S,Shahid K,Waseem W,Naureen H,Haider A,Jan MS,Ullah F,Sirajuddin M,Sadiq A

更新日期：2020-02-13 00:00:00

abstract：:Based on the known structural model for reverse transcription initiation complex of the human immunodeficiency virus type 1 (HIV-1) MAL isolate, we attempted to predict a structural behavior of MAL-like templates (CRF01_AE, subtype G and CRF02_AG) within the initiation complex by in silico experiments. Switches from t...

journal_title：Journal of biomolecular structure & dynamics

authors： Kolomiets IN,Zarudnaya MI,Potyahaylo AL,Hovorun DM

更新日期：2015-01-01 00:00:00

abstract：:The infrared absorption and 1H nuclear magnetic resonance analyses of chloroform solutions of the terminally-blocked segment corresponding to the 2-9 sequence of emerimicins III and IV, -(Aib)3-L-Val-Gly-L-Leu-(Aib)2-, are consistent with the presence of a 3(10)-helical structure of high thermal stability. The crystal...

journal_title：Journal of biomolecular structure & dynamics

authors： Toniolo C,Bonora GM,Bavoso A,Benedetti E,di Blasio B,Pavone V,Pedone C

更新日期：1985-12-01 00:00:00

abstract：:A mononuclear cadmium(II) complex of formula [Cd(5,5'-dmbipy)2(OAc)2]·2H2O (5,5'-dmbipy = 5,5'-dimethyl-2,2'-bipyridine and OAc = acetato ligand) has been synthesized and characterized by FT-IR, UV-Vis, 1H-NMR, elemental analysis and single-crystal X-ray structure analysis. The molecular structure of the complex shows...

journal_title：Journal of biomolecular structure & dynamics

authors： Kondori T,Akbarzadeh-T N,Abdi K,Dušek M,Eigner V

更新日期：2020-01-01 00:00:00

abstract：:Mycobacterium tuberculosis remains one of the most successful bacterial pathogens worldwide. The development of drug-resistant strains and the ability of the bacteria to persist in a latent form in the host are major problems for tuberculosis (TB) control. Glyoxylate shunt is a metabolic bypass of the Krebs cycle and ...

journal_title：Journal of biomolecular structure & dynamics

authors： Shukla R,Shukla H,Tripathi T

更新日期：2020-04-30 00:00:00

abstract：:Hydroxylation of proline or lysine residues in proteins is a common post-translational modification event, and such modifications are found in many physiological and pathological processes. Nonetheless, the exact molecular mechanism of hydroxylation remains under investigation. Because experimental identification of h...

journal_title：Journal of biomolecular structure & dynamics

authors： Jia CZ,He WY,Yao YH

更新日期：2017-03-01 00:00:00

abstract：:With the explosive growth of protein sequences entering into protein data banks in the post-genomic era, it is highly demanded to develop automated methods for rapidly and effectively identifying the protein-protein binding sites (PPBSs) based on the sequence information alone. To address this problem, we proposed a p...

journal_title：Journal of biomolecular structure & dynamics

authors： Jia J,Liu Z,Xiao X,Liu B,Chou KC

更新日期：2016-09-01 00:00:00

abstract：:The worldwide expanding increment in cancer pervasiveness is disturbing and this disease ranks among the main causes of mortality in both developing and developed countries. Unfortunately, available treatment options come with serious side effects and do not guarantee complete success. Although numerous models have be...

journal_title：Journal of biomolecular structure & dynamics

authors： Ojo OA,Aruleba RT,Adekiya TA,Sibuyi NRS,Ojo AB,Ajiboye BO,Oyinloye BE,Adeola HA,Fadaka AO

更新日期：2020-09-14 00:00:00

abstract：:This work aims at characterizing structural transitions within the intrinsically disordered C-terminal domain of the nucleoprotein (NTAIL) from the Nipah and Hendra viruses, two recently emerged pathogens gathered within the Henipavirus genus. To this end, we used site-directed spin labeling combined with electron par...

journal_title：Journal of biomolecular structure & dynamics

authors： Martinho M,Habchi J,El Habre Z,Nesme L,Guigliarelli B,Belle V,Longhi S

更新日期：2013-01-01 00:00:00

abstract：:Geometries and interaction energies of unusual UU and AA base pairs with one standard hydrogen bond (H-bond) and additional C-H...O or C-H...N contacts have been determined by quantum-chemical methods taking into account electron correlation. Whereas the C-H bond length in the UU C-H...O contact increases upon complex...

journal_title：Journal of biomolecular structure & dynamics

authors： Brandl M,Meyer M,Sühnel J

更新日期：2001-02-01 00:00:00

abstract：:MAP/microtubule affinity-regulating kinase 4 (MARK4) is a member of adenosine monophosphate-activated protein kinases, directly associated with cancer and neurodegenerative diseases. Here, we have cloned, expressed, and purified two variants of MARK4 [the kinase domain (MARK4-F2), and kinase domain along with 59 N-ter...

journal_title：Journal of biomolecular structure & dynamics

authors： Naz F,Singh P,Islam A,Ahmad F,Imtaiyaz Hassan M

更新日期：2016-06-01 00:00:00

abstract：:We determined the binding sites of curcumin (cur), resveratrol (res), and genistein (gen) with milk β-lactoglobulin (β-LG) at physiological conditions. Fourier transform infrared spectroscopy, circular dichroism, and fluorescence spectroscopic methods as well as molecular modeling were used to determine the binding of...

journal_title：Journal of biomolecular structure & dynamics

authors： Kanakis CD,Tarantilis PA,Polissiou MG,Tajmir-Riahi HA

更新日期：2013-12-01 00:00:00