Efficiency of coaxial stacking depends on the DNA duplex structure.

abstract：:This article describes, for the first time, the effect of three different sizes of silver nanoparticles on the binding of curcumin to lysozyme as examined by spectroscopic and zeta potential techniques at physiological conditions. The binding constants of curcumin to lysozyme in the presence of silver nanoparticles we...

journal_title：Journal of biomolecular structure & dynamics

authors： Kamshad M,Jahanshah Talab M,Beigoli S,Sharifirad A,Chamani J

更新日期：2019-05-01 00:00:00

abstract：:Malaria is an infectious disease caused by protozoa of the genus Plasmodium spp. with approximately 219 million cases in 2017. P. falciparum is main responsible for the most severe form of the disease, cerebral malaria. Despite of public health impacts, chemotherapy against malaria is still limited due to the emergenc...

journal_title：Journal of biomolecular structure & dynamics

authors： Costa Júnior DB,Araújo JSC,de Mattos Oliveira L,Neri FSM,Moreira POL,Taranto AG,Fonseca AL,de Pilla Varotti F,Leite FHA

更新日期：2020-05-13 00:00:00

abstract：:The solution structure of two double helical nucleic acid fragments, viz, r(CGCGCG) and d(CGCGCG), was probed by means of two-dimensional nuclear Overhauser effect spectroscopy. The two compounds were selected as models for the A-type and B-type double helical conformations, respectively, and it is shown that for each...

journal_title：Journal of biomolecular structure & dynamics

authors： Haasnoot CA,Westerink HP,van der Marel GA,van Boom JH

更新日期：1984-10-01 00:00:00

abstract：:The interactions of the drugs 2,7-bis[(diethylamino)-ethoxy]-fluoren-9-one dihydrochloride (Tilorone), 2,7-bis[(dipropylamino)-acetamido]-fluoren-9-one dihydrochloride (FA-2), 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole trihydrochloride (Hoechst 33258), and hematoporphyrin IX derivative (H...

journal_title：Journal of biomolecular structure & dynamics

authors： Bischoff G,Bischoff R,Birch-Hirschfeld E,Gromann U,Lindau S,Meister WV,de A Bambirra S,Bohley C,Hoffmann S

更新日期：1998-10-01 00:00:00

abstract：:Previous reports have shown that protein-drug interaction helps to improve the pharmacokinetics of the drugs. Human serum albumin (HSA) is one of the basic components of blood plasma and it serves as a storage and carrier protein. In the present study, the interaction of a new synthesized Pt [iso]2 complex (cis - [Pt(...

journal_title：Journal of biomolecular structure & dynamics

authors： Mohammadgholi A,Leilabadi-Asl A,Divsalar A,Eslami-Moghadam M

更新日期：2020-04-07 00:00:00

abstract：:High-mobility group A1 (HMGA1) is a non-histone chromosomal protein, which is known as 'architectural' transcription factor that facilitates the assembly of 'enhanceosome.' Because of its elevated expression in a number of human malignancies, with barely minimal levels in healthy adults, HMGA1 is considered as potenti...

journal_title：Journal of biomolecular structure & dynamics

authors： Akhter MZ,Rajeswari MR

更新日期：2017-03-01 00:00:00

abstract：:Inhibition of heat shock protein 90 (Hsp90) is known to be a significantly effective strategy in cancer therapy. Here, pyrazolopyranopyrimidine derivatives were characterized as new Hsp90 inhibitors. The molecules' key structure (ZINC02819805) was determined by utilizing a pharmacophore model virtual screening workflo...

journal_title：Journal of biomolecular structure & dynamics

authors： Abbasi M,Amanlou M,Aghaei M,Bakherad M,Doosti R,Sadeghi-Aliabadi H

更新日期：2020-08-01 00:00:00

abstract：:Our earlier study on the nucleosomes containing TBP binding sites (TATA boxes) indicated that generally the same sequence, which harbors the TATA box, encodes simultaneously an alternative rotational setting of the box, so that the TATA element is either exposed (position "minor groove out") or hidden in position "min...

journal_title：Journal of biomolecular structure & dynamics

authors： Trifonov EN

更新日期：2016-12-01 00:00:00

abstract：:1, 4 and 5, 8-Positions as well as type of functionalities on these positions at anthraquinone-9, 10-dione are proposed to be significant for anticancer activity. Therefore, keeping this into consideration, a series of 1-substituted anthraquinone-based compounds are designed, synthesized, characterized and biologicall...

journal_title：Journal of biomolecular structure & dynamics

authors： Awasthi P,Vatsal M,Sharma A

更新日期：2019-10-01 00:00:00

abstract：:We have studied the NaCl-induced condensation of calf thymus chromatin by static light scattering of 90 degrees and shown that the increase in NaCl concentration up to 120-170 mM results in a large increase in scattering intensity of the total chromatin. Histones H1-depleted and trypsinized chromatin preparations do n...

journal_title：Journal of biomolecular structure & dynamics

authors： Smirnov IV,Dimitrov SI,Makarov VL

更新日期：1988-04-01 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：: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：:The novel SARS-CoV-2 is the etiological agent causing the Coronavirus disease 2019 (COVID-19), which continues to become an inevitable pandemic outbreak. Over a short span of time, the structures of therapeutic target proteins for SARS-CoV-2 were identified based on the homology modelled structure of similar virus, SA...

journal_title：Journal of biomolecular structure & dynamics

authors： Rao P,Shukla A,Parmar P,Rawal RM,Patel BV,Saraf M,Goswami D

更新日期：2020-09-02 00:00:00

abstract：:COVID-19 is a novel severe acute respiratory syndrome coronavirus. Currently, there is no effective treatment and vaccines seem to be the solution in the future. Virtual screening of potential drugs against the S protein of severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) has provided small molecular comp...

journal_title：Journal of biomolecular structure & dynamics

authors： Yepes-Pérez AF,Herrera-Calderon O,Quintero-Saumeth J

更新日期：2020-10-29 00:00:00

abstract：:Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is an ongoing global health emergency. Repurposing of approved pharmaceutical drugs for COVID-19 treatment represents an attractive approach to quickly identify promising drug candidates. SARS-CoV-2 main protease...

journal_title：Journal of biomolecular structure & dynamics

authors： Mandour YM,Zlotos DP,Alaraby Salem M

更新日期：2020-10-23 00:00:00

abstract：:Tumor suppressor proteins play a crucial role in cell cycle regulation. Retinoblastoma protein (pRB) is one among them which regulates G1-S transition by binding with transcription factors. The activity of pRB is deregulated by cyclin dependent kinases-mediated hyper-phosphorylation and also due to cancer-derived muta...

journal_title：Journal of biomolecular structure & dynamics

authors： Ramakrishnan C,Subramanian V,Balamurugan K,Velmurugan D

更新日期：2013-01-01 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：: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 conformation of the C-terminal octapeptide fragment of Substance P (SP4-11, Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2) has been investigated by 2D-NMR and MD methods. The octapeptide exists in a blend of conformations. The molecule seems to shuttle between conformations with gamma-bends either at Phe5 or Gly6 or Gln3 or...

journal_title：Journal of biomolecular structure & dynamics

authors： Coutinho E,Kamath S,Saran A,Srivastava S

更新日期：1998-12-01 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：:Vibrio cholerae hemolysin (HlyA) is a 65 kDa pore-forming toxin which causes lysis of target eukaryotic cells by forming heptameric channels in the plasma membrane. Deletion of the 15 kDa C-terminus β-prism carbohydrate-binding domain generates a 50 kDa truncated variant (HlyA50) with 1000-fold-reduced pore-forming ac...

journal_title：Journal of biomolecular structure & dynamics

authors： Dutta S,Banerjee KK,Ghosh AN

更新日期：2014-01-01 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：:An ab initio quantum-chemical study of stacked and hydrogen-bonded protonated cytosine dimer has been carried out. The calculations were made using the second-order Moller-Plesset perturbational method (MP2) with a medium-sized polarized set of atomic orbitals. H-bonded as well as stacked protonated base pairs are mor...

journal_title：Journal of biomolecular structure & dynamics

authors： Sponer J,Leszczynski J,Vetterl V,Hobza P

更新日期：1996-02-01 00:00:00

abstract：:Regulation of gene expression in eukaryotes involves a complex assembly of DNA recognition sequence elements and their respective protein factors. The upstream promoter/enhancer sequences are position and orientation independent. Despite their variable distances from the TATA box and transcription start site, interact...

journal_title：Journal of biomolecular structure & dynamics

authors： Nussinov R

更新日期：1992-06-01 00:00:00

abstract：:Conversion of the rod-like tobacco mosaic virus (TMV) virions into "ball-like particles" by thermal denaturation at 90-98 °C had been described by R.G. Hart in 1956. We have reported recently that spherical particles (SPs) generated by thermal denaturation of TMV at 94-98 °C were highly stable, RNA-free, and water-ins...

journal_title：Journal of biomolecular structure & dynamics

authors： Dobrov EN,Nikitin NA,Trifonova EA,Parshina EY,Makarov VV,Maksimov GV,Karpova OV,Atabekov JG

更新日期：2014-01-01 00:00:00

abstract：:The eIF2α kinase activity of the heme-regulated inhibitor (HRI) is regulated by heme which makes it a unique member of the family of eIF2α kinases. Since heme concentrations create an equilibrium for the kinase to be active/inactive, it becomes important to study the heme binding effects upon the kinase and understand...

journal_title：Journal of biomolecular structure & dynamics

authors： Bhavnani V,Kaviraj S,Panigrahi P,Suresh CG,Yapara S,Pal J

更新日期：2018-08-01 00:00:00

abstract：:COVID-19 and its causative organism SARS-CoV2 that emerged from Wuhan city, China have paralyzed the world. With no clinically approved drugs, the global health system is struggling to find an effective treatment measure. At this crucial juncture, screening of plant-derived compounds may be an effective strategy to co...

journal_title：Journal of biomolecular structure & dynamics

authors： Swargiary A,Mahmud S,Saleh MA

更新日期：2020-10-22 00:00:00

abstract：:Trying to answer the question posed in the title, we have carried out a detailed theoretical investigation of the biologically important mechanism of the tautomerization of the A·T Watson-Crick DNA base pair, information that is hard to establish experimentally. By combining theoretical investigations at the MP2 and d...

journal_title：Journal of biomolecular structure & dynamics

authors： Brovarets OO,Hovorun DM

更新日期：2014-01-01 00:00:00

abstract：:Myo-inositol is one of the vital nutritional requirements for the Leishmania parasites' survival and virulence in the mammalian host. . Myo-inositol-1-phosphate synthase (MIPS) is responsible for the synthesis of myo-inositol in Leishmania, which plays a vital role in Leishmania's virulence to mammalian hosts. Earlier...

journal_title：Journal of biomolecular structure & dynamics

authors： Sinha M,Jagadeesan R,Kumar N,Saha S,Kothandan G,Kumar D

更新日期：2020-11-17 00:00:00

abstract：:X-chromosome-linked inhibitor of apoptosis (XIAP) inhibits cell apoptosis. Overexpression of XIAP is widely found in human cancers. Second mitochondria-derived activator of caspase (SMAC) protein inhibits XIAP through binding with Baculovirus Inhibitor of apoptosis protein Repeat (BIR) 3 or BIR2 domain of XIAP. In thi...

journal_title：Journal of biomolecular structure & dynamics

authors： Tian S,Ji C,Zhang JZH

更新日期：2021-02-01 00:00:00