Globularity and protein function.

abstract：:Formation of intramolecular tetraplex structures by the thrombin-binding DNA aptamer (TBA) in the presence of K(+), Pb(2+), Ba(2+), Sr(2+) and Mn(2+) has been studied by vibrational spectroscopy. All tetraplex structures contain G-G Hoogsteen type base pairing, both C2'endo/anti and C2'endo/syn deoxyguanosine glycosid...

journal_title：Journal of biomolecular structure & dynamics

authors： Mondragon-Sanchez JA,Liquier J,Shafer RH,Taillandier E

更新日期：2004-12-01 00:00:00

abstract：:The potassium channel Kv1.3 is an important pharmacological target and the Kaliotoxin-type toxins (α-KTX-3 family) are its specific blockers. Here, we study the binding process of two kinds of Kaliotoxin-type toxins:BmKTX and its mutant (BmKTX-D33H) toward to Kv1.3 channel using MD simulation and umbrella sampling sim...

journal_title：Journal of biomolecular structure & dynamics

authors： Zheng Q,Na R,Yang L,Yu H,Zhao X,Huang X

更新日期：2020-05-06 00:00:00

abstract：:The structure of the nonclassical pi kappa base pair (7-methyl-oxoformycin B. . .2,4-diaminopyrimidine) was studied at the ab initio Hartree-Fock (HF) and MP2 levels using the 6-31G* and 6-31G** basis sets. The pi kappa base pair is bound by three parallel hydrogen bonds with the donor-acceptor-donor recognition patte...

journal_title：Journal of biomolecular structure & dynamics

authors： Florián J,Leszczyński J

更新日期：1995-04-01 00:00:00

abstract：:SARS-CoV-2 has become a pandemic causing a serious global health concern. The absence of effective drugs for treatment of the disease has caused its rapid spread on a global scale. Similarly to the SARS-CoV, the SARS-CoV-2 is also involved in a complex interplay with the host cells. This infection is characterized by ...

journal_title：Journal of biomolecular structure & dynamics

authors： Gollapalli P,B S S,Rimac H,Patil P,Nalilu SK,Kandagalla S,Shetty P

更新日期：2020-11-04 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：:Structural information over the entire course of binding interactions based on the analyses of energy landscapes is described, which provides a framework to understand the events involved during biomolecular recognition. Conformational dynamics of malectin's exquisite selectivity for diglucosylated N-glycan (Dig-N-gly...

journal_title：Journal of biomolecular structure & dynamics

authors： Mamidi AS,Surolia A

更新日期：2015-01-01 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：: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：:Short and long disordered regions of proteins have different preference for different amino acid residues. Different methods often have to be trained to predict them separately. In this study, we developed a single neural-network-based technique called SPINE-D that makes a three-state prediction first (ordered residue...

journal_title：Journal of biomolecular structure & dynamics

authors： Zhang T,Faraggi E,Xue B,Dunker AK,Uversky VN,Zhou Y

更新日期：2012-01-01 00:00:00

abstract：:The conformation of a complex of a 41 mer/31 mer DNA fragment and the Klenow fragment of DNA polymerase I of Escherichia coli was studied by scanning tunnelling microscopy (STM). The results shows that near two turns of double helix of this DNA fragment was outside of enzyme while another part containing more than one...

journal_title：Journal of biomolecular structure & dynamics

authors： Lu CD,Li MQ,Qui MY,Yao XW,Xu YL,Gu MM,Hu J

更新日期：1991-10-01 00:00:00

abstract：:Melanoma is a malignant cancer of the skin associated with a high mortality. Early medical diagnosis and surgical intervention are essential for the treatment of melanoma. The use of plant-based compounds is an important strategy for the prevention and treatment of different types of cancers. Curcumin is a promising n...

journal_title：Journal of biomolecular structure & dynamics

authors： Ghazaeian M,Khorsandi K,Hosseinzadeh R,Naderi A,Abrahamse H

更新日期：2020-08-07 00:00:00

abstract：:Pertussis, caused by Bordetella pertussis is still one of the controversial diseases worldwide due to its high prevalence in both the developed and the developing countries, especially among young children. As currently approved vaccines are not protective enough and provide Th2-type immune responses, there is an urge...

journal_title：Journal of biomolecular structure & dynamics

authors： Souod N,Rismani E,Bahrami F,Pakzad SR,Ajdary S

更新日期：2020-07-21 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：:Based on Fourier transform infrared (FTIR) microspectroscopy, the conformation of rhEGF under the influence of pH, heat treatment, chaotropic salts, concentration of salt and protein structure perturbants was studied. The FTIR spectrum of rhEGF showed that major secondary structures from amide I bands composed of 40.6...

journal_title：Journal of biomolecular structure & dynamics

authors： Yang CH,Wu PC,Huang YB,Tsai YH

更新日期：2004-08-01 00:00:00

abstract：:Crystalline complexes of yeast tRNA(phe) and the oligopeptide antibiotics netropsin and distamycin A were prepared by diffusing drugs into crystals of tRNA. X-ray structure analyses of these complexes reveal a single common binding site for both drugs which is located in the major or deep groove of the tRNA T-stem. Th...

journal_title：Journal of biomolecular structure & dynamics

authors： Rubin J,Sundaralingam M

更新日期：1984-08-01 00:00:00

abstract：:Novel Coronavirus or SARS-CoV-2 has received worldwide attention due to the COVID-19 pandemic, which originated in Wuhan, China leading to thousands of deaths to date. The SARS-CoV-2 Spike glycoprotein protein is one of the main focus of COVID-19 related research as it is a structural protein that facilitates its atta...

journal_title：Journal of biomolecular structure & dynamics

authors： Ahamad S,Kanipakam H,Gupta D

更新日期：2020-08-27 00:00:00

abstract：:In recent years, acetylcholinesterase (AChE) and α-glycosidase (α-gly) inhibition have emerged as a promising and important approach for pharmacological intervention in many diseases such as glaucoma, epilepsy, obesity, cancer, and Alzheimer's. In this manner, the preparation and enzyme inhibition activities of periph...

journal_title：Journal of biomolecular structure & dynamics

authors： Koçyiğit ÜM,Taslimi P,Tüzün B,Yakan H,Muğlu H,Güzel E

更新日期：2020-12-09 00:00:00

abstract：:It is well established that GAA/TTC base triplet expansion is the cause of degenerative disorder in Freidreich's Ataxia. It is also known that these repeat sequences fold back to form the unusual intramolecular triple helix structures in DNA of the type Pyrimidine *Purine *Pyrimidine or Purine *Purine*Pyrimidine. In t...

journal_title：Journal of biomolecular structure & dynamics

authors： Jain A,Rajeswari MR,Ahmed F

更新日期：2002-02-01 00:00:00

abstract：:Carbonic anhydrases catalyze the reversible hydration of carbon dioxide to form bicarbonate, a reaction required for many functions such as carbon assimilation, pH acid-base homeostasis, respiration and photosynthesis via a zinc-hydroxide mechanism for carbon dioxide hydration. In earlier studies, it was revealed that...

journal_title：Journal of biomolecular structure & dynamics

authors： Yadav PR,Basha SH,Pindi PK

更新日期：2020-12-24 00:00:00

abstract：:Fusarium solani causes a wide variety of diseases in plants. Polyamine biosynthesis is responsible for the growth and pathogenicity of the fungus. The initial step of this pathway involves the decarboxylation of ornithine to putrescine, and is catalyzed by the enzyme ornithine decarboxylase (ODC). Inhibiting this proc...

journal_title：Journal of biomolecular structure & dynamics

authors： Sanchita,Chauhan R,Soni G,Sudhamalla B,Sharma A

更新日期：2013-01-01 00:00:00

abstract：:The problem that how many protein-coding genes there are in the genome of Aeropyrum pernix K1 has confused many scientists since the sequencing in 1999. In this paper, the protein-coding genes in A. pernix K1 are identified from the original and current NITE annotation by using the Aper_ORFs method. Consequently, 702 ...

journal_title：Journal of biomolecular structure & dynamics

authors： Guo FB,Lin Y

更新日期：2009-02-01 00:00:00

abstract：:SARS-CoV-2 is causative agent of COVID-19, which is responsible for severe social and economic disruption globally. Lack of vaccine or antiviral drug with clinical efficacy suggested that drug repurposing approach may provide a quick therapeutic solution to COVID-19. Nonstructural protein-15 (NSP15) encodes for an uri...

journal_title：Journal of biomolecular structure & dynamics

authors： Chandra A,Gurjar V,Qamar I,Singh N

更新日期：2020-06-09 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：:A novel severe acute respiratory syndrome coronavirus (SARS-CoV-2) has emerged as the causative agent behind the coronavirus disease 2019 (COVID-19) pandemic. Treatment efforts have been severely impeded due to the lack of specific effective antiviral drugs for the treatment of COVID-associated pathologies. In the pre...

journal_title：Journal of biomolecular structure & dynamics

authors： Naidoo D,Roy A,Kar P,Mutanda T,Anandraj A

更新日期：2020-07-21 00:00:00

abstract：:The studies on protein-dye interactions are important in biological process and it is regarded as vital step in rational drug design. The interaction of thionine (TH) with human serum albumin (HSA) was analyzed using isothermal titration calorimetry (ITC), spectroscopic, and molecular docking technique. The emission s...

journal_title：Journal of biomolecular structure & dynamics

authors： Manivel P,Paulpandi M,Murugan K,Benelli G,Ilanchelian M

更新日期：2017-11-01 00:00:00

abstract：:Peptide- and protein-protein dockings were carried out on β2-adrenergic receptor (β2AR) to confirm the presence of transmembrane helix 6 (TM6) at the interface region between two β2AR monomers, thereby its possible role in dimerization as suggested in numerous experimental and computational studies. Initially, a porti...

journal_title：Journal of biomolecular structure & dynamics

authors： Koroglu A,Akten ED

更新日期：2015-01-01 00:00:00

abstract：:We have carried out B3LYP hybrid density functional studies of complexes formed by cyclic cytosine-, guanine-, thymine-, uracil- and mixed guanine cytosine-tetrads with Li+, Na+ and K+ ions to determine their structures and interaction energies. The conformations studied have been restricted to a hydrogen bond pattern...

journal_title：Journal of biomolecular structure & dynamics

authors： Meyer M,Sühnel J

更新日期：2003-02-01 00:00:00

abstract：:Cardiovascular diseases are the world's leading cause of death. Hypertension is an important risk factor for cardiovascular and renal diseases. Angiotensin-converting enzyme (ACE) can be a possible therapeutic target for managing angiotensin I conversion to angiotensin II and ultimately controlling hypertension. Indol...

journal_title：Journal of biomolecular structure & dynamics

authors： Sahin K

更新日期：2020-10-05 00:00:00

abstract：:Frequently discussed analogy between genetic and human texts is explored by comparison of alternation of polar and non-polar amino-acid residues in proteins and alternation of consonants and vowels in human texts. In human languages, the usage of possible combinations of consonants and vowels is influenced by pronounc...

journal_title：Journal of biomolecular structure & dynamics

authors： Zemková M,Trifonov EN,Zahradník D

更新日期：2014-01-01 00:00:00

abstract：:Inosine 5' monophosphate dehydrogenase (IMPDH II) is a key enzyme involved in the de novo biosynthesis pathway of purine nucleotides and is also considered to be an excellent target for cancer inhibitor design. The conserve R 322 residue (in human) is thought to play some role in the recognition of inhibitor and cofac...

journal_title：Journal of biomolecular structure & dynamics

authors： Bairagya HR,Mukhopadhyay BP,Sekar K

更新日期：2009-10-01 00:00:00