Log in

Relevant bibliographies by topics / Steric hindrance to conformational flipping / Journal articles

To see the other types of publications on this topic, follow the link: Steric hindrance to conformational flipping.

Journal articles on the topic 'Steric hindrance to conformational flipping'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic 'Steric hindrance to conformational flipping.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

Nori-Shargh, Davood, Mostafa Mohamadpour Amini, Maryam Jafari, Farzad Deyhimi, and Saeed Jameh-Bozorghi. "Ab Initio Study of Geminal Steric Hindrance Effects on the Stability of Conformations of Cyclohexane Derivatives." Journal of Chemical Research 2005, no. 8 (2005): 508–15. http://dx.doi.org/10.3184/030823405774663219.

Full text

Abstract:

Ab initio and density functional theory methods (HF/3-21G*//HF/3-21G*, MP2/3-21G*//HF/3-21G*, B3LYP/3-21G*//HF/3-21G*, B3LYP/LANL2DZ*//HF/LANL2DZ*, MP2/LANL2DZ*//HF/LANL2DZ* and HF/LANL2DZ*//HF/LANL2DZ*) used to investigate the conformational properties of cyclohexane, 1,1-dimethylcyclohexane, 1,1-di-tert-butylcyclohexane, 1,1-bis(trimethylsilanyl)cyclohexane, 1,1-bis(trimethylgermanyl)cyclohexane and 1,1-bis(trimethylstannyl)cyclohex ane showed that the energy difference between the chair and twist-boat conformations and also the ring flipping energy barrier decreases from cyclohexane, 1,1-di

APA, Harvard, Vancouver, ISO, and other styles

2

P., L. Majumder, Mukhoti Nirmalendu, and Chattopadhyay (nee Lahiri) Saswati. "Agrostophyllanthrol and isoagrostophyllanthrol, two novel diastereomeric phenanthropyran derivatives from the orchid Agrostophyllum khasiyanum." Journal of Indian Chemical Society Vol. 85, Dec 2008 (2008): 1315–25. https://doi.org/10.5281/zenodo.5819637.

Full text

Abstract:

Department of Chemistry. University College of Science, 92, Acharya Prafulla Chandra Road, Kolkata-700 009, India <em>E-mail</em> : priyalalm@hotmail.com <em>Manuscript received 11 November 2008, accepted 17 November 2008</em> Agrostophyllanthrol and isoagrostophyllanthrol, two novel diastereomeric phenanthropyran derivatives were isolated from the orchid <em>Agrostophyllum khasiyauum</em> which earlier afforded eleven stilbenoids, viz. the two dimeric phenanthrene derivatives agrostonin [2,2', 7, 7' -tetrahydroxy-4,4' ,6,6' -tetramethoxy-1,1' -biphenanthryl] and agrostonid

APA, Harvard, Vancouver, ISO, and other styles

3

Yang, Xinzhen, Inna Lipchina, Michelle Lifton, Liping Wang, and Joseph Sodroski. "Antibody Binding in Proximity to the Receptor/Glycoprotein Complex Leads to a Basal Level of Virus Neutralization." Journal of Virology 81, no. 16 (2007): 8809–13. http://dx.doi.org/10.1128/jvi.00394-07.

Full text

Abstract:

ABSTRACT Hypothetically, antibodies may neutralize enveloped viruses by diverse mechanisms, such as disruption of receptor binding, interference with conformational changes required for virus entry, steric hindrance, or virus aggregation. Here, we demonstrate that retroviral infection mediated by the avian sarcoma-leukosis virus (ASLV-A) envelope glycoproteins can be neutralized by an antibody directed against a functionally unimportant component of a chimeric receptor protein. Thus, the binding of an antibody in proximity to the retroviral envelope glycoprotein-receptor complex, without bindi

APA, Harvard, Vancouver, ISO, and other styles

4

Jios, Jorge L., Rudolf Wartchow, Gustavo A. Echeverría, and Helmut Duddeck. "Aryl Naphthoates: A Conformational Analysis Supported by Single-Crystal X-Ray Diffraction." Australian Journal of Chemistry 69, no. 3 (2016): 291. http://dx.doi.org/10.1071/ch15071.

Full text

Abstract:

The conformational study by X-ray diffraction of 12 aroyl esters of ortho-acetyl phenols is reported. The data are supported by theoretical calculations and described in terms of co-planarity, intramolecular steric interference, and intermolecular contacts. The observed hindrance was correlated with the C=O stretching vibration values in infrared spectroscopy.

APA, Harvard, Vancouver, ISO, and other styles

5

Fernández-Mateos, A., M. Rentzsch, L. Rodrı́guez Sánchez, and R. Rubio González. "Nucleophilic displacement of homoallylic tosylates: influence of steric hindrance and conformational rigidity." Tetrahedron 57, no. 23 (2001): 4873–79. http://dx.doi.org/10.1016/s0040-4020(01)00415-x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Bager, René, Jesper S. Johansen, Jan K. Jensen, et al. "Protein Conformational Change Delayed by Steric Hindrance from an N-Linked Glycan." Journal of Molecular Biology 425, no. 16 (2013): 2867–77. http://dx.doi.org/10.1016/j.jmb.2013.05.007.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Gómez, Sara, Natalia Rojas-Valencia, and Albeiro Restrepo. "Analysis of Conformational Preferences in Caffeine." Molecules 27, no. 6 (2022): 1937. http://dx.doi.org/10.3390/molecules27061937.

Full text

Abstract:

High level DLPNO–CCSD(T) electronic structure calculations with extended basis sets over B3LYP–D3 optimized geometries indicate that the three methyl groups in caffeine overcome steric hindrance to adopt uncommon conformations, each one placing a C–H bond on the same plane of the aromatic system, leading to the C–H bonds eclipsing one carbonyl group, one heavily delocalized C–N bond constituent of the fused double ring aromatic system, and one C–H bond from the imidazole ring. Deletion of indiscriminate and selective non-Lewis orbitals unequivocally show that hyperconjugation in the form of a

APA, Harvard, Vancouver, ISO, and other styles

8

Bodart, Laurie, Nikolay Tumanov, and Johan Wouters. "Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75, no. 4 (2019): 674–86. http://dx.doi.org/10.1107/s2052520619007649.

Full text

Abstract:

Clofazimine is a water-insoluble antimycobacterial agent gaining attention as a treatment for multi-drug resistant and extensively drug-resistant tuberculosis. Novel salts of clofazimine are reported with fumaric, succinic, 2,4-dihydroxybenzoic and terephthalic acids and with saccharin. The salt structures were obtained by single-crystal X-ray diffraction. The salts with 2,4-dihydroxybenzoic acid and with saccharin are solvated (methanol and acetonitrile, respectively). The reaction of clofazimine with terephthalic acid led to two salt cocrystals, one solvated and one non-solvated. These new c

APA, Harvard, Vancouver, ISO, and other styles

9

Rahul, Bhattacharya, K. Kesharwani Manoj, Manna Chinmoy, Ganguly Biswajit, and Pathak Tanmaya. "Influence of steric bulk around the vinyl sulfone bond on the reaction patterns of vinyl sulfone-modified carbohydrates. An experimental and theoretical investigation." Journal of Indian Chemical Society Vol. 90, Oct 2013 (2013): 1643–50. https://doi.org/10.5281/zenodo.5791648.

Full text

Abstract:

Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur-721 302, West Bengal. India E-mail : tpathak@chem. iitkgp.ernet.in Computation and Simulation Unit (Analytical Discipline and Centralized Instrument Facility), CSIR-Central Salt and Marine Chemicals Research Institute, G. B. Marg, Bhavnagar-364 002, Gujarat, India <em>E-mail :</em> ganguly@csmcri.org <em>Manuscript received 13 June 2013, accepted 14 June 2013</em> Steric bulks attached to sulfur atom of vinyl sulfone-modified hex-2-enopyranosides and the anomeric centre control the rate of reactions of these Michael a

APA, Harvard, Vancouver, ISO, and other styles

10

Gibbs, A. F., D. Chapman, and S. A. Baldwin. "Proteolytic dissection as a probe of conformational changes in the human erythrocyte glucose transport protein." Biochemical Journal 256, no. 2 (1988): 421–27. http://dx.doi.org/10.1042/bj2560421.

Full text

Abstract:

Tryptic digestion has been used to investigate the conformational changes associated with substrate translocation by the human erythrocyte glucose transporter. The effects of substrates and inhibitors of transport on the rates of tryptic cleavage at the cytoplasmic surface of the membrane have confirmed previous observations that this protein can adopt at least two conformations. In the presence of phloretin or 4,6-O-ethylidene-D-glucose, the rate of cleavage is slowed. Because these inhibitors bind preferentially at the extracellular surface of the transporter, their effects must result from

APA, Harvard, Vancouver, ISO, and other styles

11

Bai, Lubing, Bin Liu, Yamin Han, et al. "Steric-Hindrance-Functionalized Polydiarylfluorenes: Conformational Behavior, Stabilized Blue Electroluminescence, and Efficient Amplified Spontaneous Emission." ACS Applied Materials & Interfaces 9, no. 43 (2017): 37856–63. http://dx.doi.org/10.1021/acsami.7b08980.

Full text

APA, Harvard, Vancouver, ISO, and other styles

12

Fernandez-Mateos, A., M. Rentzsch, L. Rodriguez Sanchez, and R. Rubio Gonzalez. "ChemInform Abstract: Nucleophilic Displacement of Homoallylic Tosylates: Influence of Steric Hindrance and Conformational Rigidity." ChemInform 32, no. 37 (2010): no. http://dx.doi.org/10.1002/chin.200137040.

Full text

APA, Harvard, Vancouver, ISO, and other styles

13

Baas, J. M. A., and B. M. Wepster. "The nitration of mono-alkylbenzenes conformational analysis and steric hindrance: Part V: Mechanistic aspects." Recueil des Travaux Chimiques des Pays-Bas 91, no. 7 (2010): 831–35. http://dx.doi.org/10.1002/recl.19720910709.

Full text

APA, Harvard, Vancouver, ISO, and other styles

14

Zhao, Rui, Lezi Hou, Weldu Tesfagaber, et al. "Virtual Screening and Molecular Dynamics Simulation Targeting the ATP Domain of African Swine Fever Virus Type II DNA Topoisomerase." Viruses 17, no. 5 (2025): 681. https://doi.org/10.3390/v17050681.

Full text

Abstract:

African Swine Fever Virus (ASFV) Topo II ATPase domain, resistant to conventional inhibitors (e.g., ICRF-187) due to M18/W19 steric clashes, was targeted via hierarchical virtual screening (Schrödinger) of the Chembridge library combined with MM/GBSA calculations. Five ligands (10012949, 40242484, 46712145, 15880207, and 33688815) showed high affinity, with 46712145 adopting symmetrical π–π stacking, hydrogen bonds, and alkyl interactions to bypass steric hindrance. Molecular dynamics simulations (100 ns) revealed ligand-induced flexibility, evidenced by elevated RMSD/Rg values versus the free

APA, Harvard, Vancouver, ISO, and other styles

15

Nason, Emma L., J. Denise Wetzel, S. K. Mukherjee, Erik S. Barton, B. V. Venkataram Prasad та Terence S. Dermody. "A Monoclonal Antibody Specific for Reovirus Outer-Capsid Protein ς3 Inhibits ς1-Mediated Hemagglutination by Steric Hindrance". Journal of Virology 75, № 14 (2001): 6625–34. http://dx.doi.org/10.1128/jvi.75.14.6625-6634.2001.

Full text

Abstract:

ABSTRACT Reovirus virions are nonenveloped icosahedral particles consisting of two concentric protein shells, termed outer capsid and core. Outer-capsid protein ς1 is the viral attachment protein and binds carbohydrate molecules on the surface of host cells. Monoclonal antibody (MAb) 4F2, which is specific for outer-capsid protein ς3, blocks the binding of ς1 protein to sialic acid and inhibits reovirus-induced hemagglutination (HA). To determine whether MAb 4F2 inhibits HA by altering ς1-ς3 interactions or by steric hindrance, we analyzed the effect of 4F2 immunoglobulin G (IgG) and Fab fragm

APA, Harvard, Vancouver, ISO, and other styles

16

Childers, Matthew Carter, Clare-Louise Towse, and Valerie Daggett. "The effect of chirality and steric hindrance on intrinsic backbone conformational propensities: tools for protein design." Protein Engineering Design and Selection 29, no. 7 (2016): 271–80. http://dx.doi.org/10.1093/protein/gzw023.

Full text

APA, Harvard, Vancouver, ISO, and other styles

17

Baas, J. M. A., and B. M. Wepster. "The nitration of mono-alkylbenzenes conformational analysis and steric hindrance: Part IV: tertiary alkyl- and cycloalkylbenzenes." Recueil des Travaux Chimiques des Pays-Bas 91, no. 5 (2010): 517–27. http://dx.doi.org/10.1002/recl.19720910503.

Full text

APA, Harvard, Vancouver, ISO, and other styles

18

Beuck, Christine, and Elmar Weinhold. "Reversibly locked thionucleobase pairs in DNA to study base flipping enzymes." Beilstein Journal of Organic Chemistry 10 (October 1, 2014): 2293–306. http://dx.doi.org/10.3762/bjoc.10.239.

Full text

Abstract:

Covalently interstrand cross-linked DNA is an interesting tool to study DNA binding proteins that locally open up the DNA duplex by flipping single bases out of the DNA helix or melting whole stretches of base pairs to perform their function. The ideal DNA cross-link to study protein–DNA interactions should be specific and easy to synthesize, be stable during protein binding experiments, have a short covalent linker to avoid steric hindrance of protein binding, and should be available as a mimic for both A/T and G/C base pairs to cover all possible binding specificities. Several covalent inter

APA, Harvard, Vancouver, ISO, and other styles

19

Viejo-Borbolla, A., P. Thomas, E. D. Blair, and T. F. Schulz. "Increase in infectivity of targeted Moloney murine leukemia virus-based gene-delivery vectors through lowering the threshold for fusion." Journal of General Virology 86, no. 9 (2005): 2469–80. http://dx.doi.org/10.1099/vir.0.81057-0.

Full text

Abstract:

Many research groups have developed targeted vectors for gene therapy based on Moloney murine leukemia virus (MoMLV). Despite proper binding of the targeted vector to the target molecule, little or no infectivity of human cells expressing the target molecule has been achieved in most studies. One of the reasons for this lack of infectivity may be steric hindrance within the targeted envelope glycoprotein (Env), impeding the conformational changes required for fusion and infection. Here, attempts were made to solve this problem by mutating key residues within Env of two targeted MoMLV-based vec

APA, Harvard, Vancouver, ISO, and other styles

20

Garaizar, Adiran, Ignacio Sanchez-Burgos, Rosana Collepardo-Guevara, and Jorge R. Espinosa. "Expansion of Intrinsically Disordered Proteins Increases the Range of Stability of Liquid–Liquid Phase Separation." Molecules 25, no. 20 (2020): 4705. http://dx.doi.org/10.3390/molecules25204705.

Full text

Abstract:

Proteins containing intrinsically disordered regions (IDRs) are ubiquitous within biomolecular condensates, which are liquid-like compartments within cells formed through liquid–liquid phase separation (LLPS). The sequence of amino acids of a protein encodes its phase behaviour, not only by establishing the patterning and chemical nature (e.g., hydrophobic, polar, charged) of the various binding sites that facilitate multivalent interactions, but also by dictating the protein conformational dynamics. Besides behaving as random coils, IDRs can exhibit a wide-range of structural behaviours, incl

APA, Harvard, Vancouver, ISO, and other styles

21

Chen, Kaimin, Lan Cao, Ying Zhang, Kai Li, Xue Qin, and Xuhong Guo. "Conformation Study of Dual Stimuli-Responsive Core-Shell Diblock Polymer Brushes." Polymers 10, no. 10 (2018): 1084. http://dx.doi.org/10.3390/polym10101084.

Full text

Abstract:

Stimuli-responsive nanoparticles are among the most popular research topics. In this study, two types of core-shell (polystyrene with a photoiniferter (PSV) as the core and diblock as the shell) polymer brushes (PSV@PNIPA-b-PAA and PSV@PAA-b-PNIPA) were designed and prepared using surface-initiated photoiniferter-mediated polymerization (SI-PIMP). Moreover, their pH- and temperature-stimuli responses were explored by dynamic light scattering (DLS) and turbidimeter under various conditions. The results showed that the conformational change was determined on the basis of the competition among el

APA, Harvard, Vancouver, ISO, and other styles

22

Hynninen, Paavo H., and Markku Mesilaakso. "Protonation-deprotonation equilibria in tetrapyrroles Part 2: Mono- and diprotonation of methyl pyropheophorbide a in methanolic hydrochloric acid as verified by the 1H, 13C HSQC and 1H, 15N HMBC NMR experiments." Journal of Porphyrins and Phthalocyanines 16, no. 01 (2012): 39–46. http://dx.doi.org/10.1142/s1088424611004348.

Full text

Abstract:

The two-dimensional 1H, 13C and 1H, 15N heteronuclear single quantum coherence (HSQC) and heteronuclear multiple bond correlation (HMBC) NMR techniques were applied to investigate the formation of N-protonated cationic species of methyl pyropheophorbide a in methanolic hydrochloric acid (CD3OH-HCl). The 1H, 13C HSQC and 1H, 15N HMBC NMR spectra, recorded at the temperature of 278 K, verified that the CD3OH-HCl solution with [H]+ = 0.021 M, contained the N22-protonated monocations of methyl pyropheophorbide a, whereas the CD3OH-HCl solution with [H]+ = 5.0 M contained the N22, N24-protonated di

APA, Harvard, Vancouver, ISO, and other styles

23

Orellana, Laura, Amy H. Thorne, Rafael Lema, et al. "Oncogenic mutations at the EGFR ectodomain structurally converge to remove a steric hindrance on a kinase-coupled cryptic epitope." Proceedings of the National Academy of Sciences 116, no. 20 (2019): 10009–18. http://dx.doi.org/10.1073/pnas.1821442116.

Full text

Abstract:

Epidermal growth factor receptor (EGFR) signaling is initiated by a large ligand-favored conformational change of the extracellular domain (ECD) from a closed, self-inhibited tethered monomer, to an open untethered state, which exposes a loop required for strong dimerization and activation. In glioblastomas (GBMs), structurally heterogeneous missense and deletion mutations concentrate at the ECD for unclear reasons. We explore the conformational impact of GBM missense mutations, combining elastic network models (ENMs) with multiple molecular dynamics (MD) trajectories. Our simulations reveal t

APA, Harvard, Vancouver, ISO, and other styles

24

Chen, Chongyi, Yan Sun, Yue Zhao, et al. "Anthracene-induced formation of highly twisted metallacycle and its crystal structure and tunable assembly behaviors." Proceedings of the National Academy of Sciences 118, no. 27 (2021): e2102602118. http://dx.doi.org/10.1073/pnas.2102602118.

Full text

Abstract:

Polycyclic aromatic hydrocarbons (PAHs) continue to attract increasing interest with respect to their applications as luminescent materials. The ordered structure of the metal−organic complex facilitates the selective integration of PAHs that can be tuned to function cooperatively. Here, a unique highly twisted anthracene-based organoplatinum metallacycle was prepared via coordination-driven self-assembly. Single-crystal X-ray diffraction analysis revealed that the metallacycle was twisted through the cooperation of strong π···π stacking interactions and steric hindrance between two anthracene

APA, Harvard, Vancouver, ISO, and other styles

25

Costero, Ana M., María L. Betancourt-Mendiola, Pablo Gaviña, et al. "Structure and Conformational Studies of Aza-Crown 8-Amino-BODIPY Derivatives: Influence of Steric Hindrance on Their Photophysical Properties." European Journal of Organic Chemistry 2017, no. 42 (2017): 6283–90. http://dx.doi.org/10.1002/ejoc.201701016.

Full text

APA, Harvard, Vancouver, ISO, and other styles

26

Kovermann, Michael, Christin Grundström, A. Elisabeth Sauer-Eriksson, Uwe H. Sauer, and Magnus Wolf-Watz. "Structural basis for ligand binding to an enzyme by a conformational selection pathway." Proceedings of the National Academy of Sciences 114, no. 24 (2017): 6298–303. http://dx.doi.org/10.1073/pnas.1700919114.

Full text

Abstract:

Proteins can bind target molecules through either induced fit or conformational selection pathways. In the conformational selection model, a protein samples a scarcely populated high-energy state that resembles a target-bound conformation. In enzymatic catalysis, such high-energy states have been identified as crucial entities for activity and the dynamic interconversion between ground states and high-energy states can constitute the rate-limiting step for catalytic turnover. The transient nature of these states has precluded direct observation of their properties. Here, we present a molecular

APA, Harvard, Vancouver, ISO, and other styles

27

Mikeš, František, Drahomír Výprachtický, and Jan Pecka. "The Mobility of Tryptophan and Dansyl Fluorophores in Labelled Poly(N-ethylacrylamide) and Poly(N-ethylmethacrylamide)." Collection of Czechoslovak Chemical Communications 58, no. 10 (1993): 2383–95. http://dx.doi.org/10.1135/cccc19932383.

Full text

Abstract:

The mobility of tryptophan fluorophore in N-butyl-Nα-acetyltryptophanamide and in side chain of labelled poly(N-ethylacrylamide) and poly(N-ethylmethacrylamide) was investigated by the fluorescence depolarization method. The mobility of the fluorophore in the low-molecular-weight model is much higher than in side chains of the polymers. Different steric hindrance by the polymer backbone can explain the higher mobility of the fluorophore in poly(N-ethylacrylamide) and in poly(N-ethylmethacrylamide). The mobility of 5-dimethylamino-1-naphthalenesulfonamide (dansyl) fluorophore in side chains of

APA, Harvard, Vancouver, ISO, and other styles

28

Xiong, Yingxin, Zhirui Liu, Yuanqiang Wang, Jiawei Wang, Xing Zhou, and Xiaohui Li. "Development and Evaluation of a Water-Free In Situ Depot Gel Formulation for Long-Acting and Stable Delivery of Peptide Drug ACTY116." Pharmaceutics 16, no. 5 (2024): 620. http://dx.doi.org/10.3390/pharmaceutics16050620.

Full text

Abstract:

In situ depot gel is a type of polymeric long-acting injectable (pLAI) drug delivery system; compared to microsphere technology, its preparation process is simpler and more conducive to industrialization. To ensure the chemical stability of peptide ACTY116, we avoided the use of harsh conditions such as high temperatures, high shear mixing, or homogenization; maintaining a water-free and oxygen-free environment was also critical to prevent hydrolysis and oxidation. Molecular dynamics (MDs) simulations were employed to assess the stability mechanism between ACTY116 and the pLAI system. The init

APA, Harvard, Vancouver, ISO, and other styles

29

Zhao, Zexin, Siyue Chen, Long Xu, Jun Cai, Jia Wang, and Yonghua Wang. "Structural Basis for the Regiospecificity of a Lipase from Streptomyces sp. W007." International Journal of Molecular Sciences 23, no. 10 (2022): 5822. http://dx.doi.org/10.3390/ijms23105822.

Full text

Abstract:

The efficiency and accuracy of the synthesis of structural lipids are closely related to the regiospecificity of lipases. Understanding the structural mechanism of their regiospecificity contributes to the regiospecific redesign of lipases for meeting the technological innovation needs. Here, we used a thermostable lipase from Streptomyces sp. W007 (MAS1), which has been recently reported to show great potential in industry, to gain an insight into the structural basis of its regiospecificity by molecular modelling and mutagenesis experiments. The results indicated that increasing the steric h

APA, Harvard, Vancouver, ISO, and other styles

30

Yue, Dan, Zhujun Chen, Fanli Yang, et al. "Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor." Science Advances 6, no. 20 (2020): eaba5147. http://dx.doi.org/10.1126/sciadv.aba5147.

Full text

Abstract:

Bovine herpesvirus 1 (BHV-1) has received increasing attention for its potential oncolytic applications. BHV-1 recognizes nectin-1 for cell entry via viral glycoprotein D (gD) but represents a low-affinity nectin-1 binding virus. The molecular basis underlying this low receptor-binding affinity, however, remains unknown. Here, the crystal structures of BHV-1 gD in the free and nectin-1–bound forms are presented. While showing an overall resembled nectin-1 binding mode to other alphaherpesvirus gDs, BHV-1 gD has a unique G-strand/α2-helix interloop that disturbs gD/nectin-1 interactions. Residu

APA, Harvard, Vancouver, ISO, and other styles

31

Hu, Zhongjian, Ryan T. Haws, Zhuping Fei, et al. "Impact of backbone fluorination on nanoscale morphology and excitonic coupling in polythiophenes." Proceedings of the National Academy of Sciences 114, no. 20 (2017): 5113–18. http://dx.doi.org/10.1073/pnas.1620722114.

Full text

Abstract:

Fluorination represents an important strategy in developing high-performance conjugated polymers for photovoltaic applications. Here, we use regioregular poly(3-ethylhexylthiophene) (P3EHT) and poly(3-ethylhexyl-4-fluorothiophene) (F-P3EHT) as simplified model materials, using single-molecule/aggregate spectroscopy and molecular dynamic simulations, to elucidate the impacts of backbone fluorination on morphology and excitonic coupling on the molecular scale. Despite its high regioregularity, regioregular P3EHT exhibits a rather broad distribution in polymer chain conformation due to the strong

APA, Harvard, Vancouver, ISO, and other styles

32

CARAMELO, Julio J., Jorge FLORIN-CHRISTENSEN, and José M. DELFINO. "Phospholipase activity on N-acyl phosphatidylethanolamines is critically dependent on the N-acyl chain length." Biochemical Journal 374, no. 1 (2003): 109–15. http://dx.doi.org/10.1042/bj20021840.

Full text

Abstract:

We have recently shown that an endogenous phospholipase A2 from bovine erythrocytes does not hydrolyse NAPEs (N-acyl l-α-phosphatidylethanolamines), which accumulate remarkably in this system [Florin-Christensen, Suarez, Florin-Christensen, Wainszelbaum, Brown, McElwain and Palmer (2001) Proc. Natl. Acad. Sci. U.S.A. 98, 7736–7741]. Here we investigate the causes underlying this resistance. N-acylation of PE (l-α-phosphatidylethanolamine) results in alteration of charge, head-group volume and conformation, the last two features depending on the N-acyl chain length. To evaluate each effect sepa

APA, Harvard, Vancouver, ISO, and other styles

33

Schmidbaur, Hubert, Graham A. Bowmaker, Otto Kumberger, Gerhard Müller, and Werner Wolfsberger. "The Crystal Structure of Me3SiNPPh2CH2PPh2 and NMR Investigations on its Proposed Thermal Isomerization." Zeitschrift für Naturforschung B 45, no. 4 (1990): 476–82. http://dx.doi.org/10.1515/znb-1990-0412.

Full text

Abstract:

The crystal structure of Me3SiNPPh2CH2PPh2 (1) has been determined in order to obtain information about the ground state conformation in the solid, and about unusual steric effects which could give rise to conformational isomers. It was recently proposed that such isomers exist due to restricted rotation about the P=N bond, and are generated by heating the compound to 160 C. The evidence for them was based on the observation of multiple NMR signals in CDCl3 solutions of samples which had been so treated. The crystal structure yields a P–N–Si bond angle of 150.2(2), a P–N bond length of 1.529(3

APA, Harvard, Vancouver, ISO, and other styles

34

Pérez de la Lastra, José Manuel, Victoria Baca-González, Sergio González-Acosta, Patricia Asensio-Calavia, Andrea Otazo-Pérez, and Antonio Morales-delaNuez. "Antibodies targeting enzyme inhibition as potential tools for research and drug development." Biomolecular Concepts 12, no. 1 (2021): 215–32. http://dx.doi.org/10.1515/bmc-2021-0021.

Full text

Abstract:

Abstract Antibodies have transformed biomedical research and are now being used for different experimental applications. Generally, the interaction of enzymes with their specific antibodies can lead to a reduction in their enzymatic activity. The effect of the antibody is dependent on its narrow i.e. the regions of the enzyme to which it is directed. The mechanism of this inhibition is rarely a direct combination of the antibodies with the catalytic site, but is rather due to steric hindrance, barring the substrate access to the active site. In several systems, however, the interaction with th

APA, Harvard, Vancouver, ISO, and other styles

35

Goulas, Theodoros, Irene Garcia-Ferrer, Aniebrys Marrero, Laura Marino-Puertas, Stephane Duquerroy та F. Xavier Gomis-Rüth. "Structural and functional insight into pan-endopeptidase inhibition by α2-macroglobulins". Biological Chemistry 398, № 9 (2017): 975–94. http://dx.doi.org/10.1515/hsz-2016-0329.

Full text

Abstract:

Abstract Peptidases must be exquisitely regulated to prevent erroneous cleavage and one control is provided by protein inhibitors. These are usually specific for particular peptidases or families and sterically block the active-site cleft of target enzymes using lock-and-key mechanisms. In contrast, members of the +1400-residue multi-domain α2-macroglobulin inhibitor family (α2Ms) are directed against a broad spectrum of endopeptidases of disparate specificities and catalytic types, and they inhibit their targets without disturbing their active sites. This is achieved by irreversible trap mech

APA, Harvard, Vancouver, ISO, and other styles

36

Zhou, Pengfei, Zhongliang Zhu, Muhammad Hidayatullah Khan, Peiyi Zheng, Maikun Teng, and Liwen Niu. "Crystal structure of cytoplasmic acetoacetyl-CoA thiolase fromSaccharomyces cerevisiae." Acta Crystallographica Section F Structural Biology Communications 74, no. 1 (2018): 6–13. http://dx.doi.org/10.1107/s2053230x17016971.

Full text

Abstract:

Thiolases are vital enzymes which participate in both degradative and biosynthetic pathways. Biosynthetic thiolases catalyze carbon–carbon bond formation by a Claisen condensation reaction. The cytoplasmic acetoacetyl-CoA thiolase fromSaccharomyces cerevisiae, ERG10, catalyses carbon–carbon bond formation in the mevalonate pathway. The structure of aS. cerevisiaebiosynthetic thiolase has not previously been reported. Here, crystal structures of apo ERG10 and its Cys91Ala variant were solved at resolutions of 2.2 and 1.95 Å, respectively. The structure determined shows that ERG10 shares the cha

APA, Harvard, Vancouver, ISO, and other styles

37

Zhang, Xinzheng, Ju Sheng, S. Kyle Austin, et al. "Structure of Acidic pH Dengue Virus Showing the Fusogenic Glycoprotein Trimers." Journal of Virology 89, no. 1 (2014): 743–50. http://dx.doi.org/10.1128/jvi.02411-14.

Full text

Abstract:

ABSTRACTFlaviviruses undergo large conformational changes during their life cycle. Under acidic pH conditions, the mature virus forms transient fusogenic trimers of E glycoproteins that engage the lipid membrane in host cells to initiate viral fusion and nucleocapsid penetration into the cytoplasm. However, the dynamic nature of the fusogenic trimer has made the determination of its structure a challenge. Here we have used Fab fragments of the neutralizing antibody DV2-E104 to stop the conformational change of dengue virus at an intermediate stage of the fusion process. Using cryo-electron mic

APA, Harvard, Vancouver, ISO, and other styles

38

Lee, Jaewon, and Ranbir Singh. "Competitive role between conformational lock and steric hindrance in D-A copolymers containing 1,4-bis(thieno[3,2-b]thiophen-2-yl)benzene unit." Dyes and Pigments 181 (October 2020): 108540. http://dx.doi.org/10.1016/j.dyepig.2020.108540.

Full text

APA, Harvard, Vancouver, ISO, and other styles

39

McKinnon, Thomas A. J., Alain C. K. Chion, Alexander J. Millington, David A. Lane, and Mike A. Laffan. "N-linked glycosylation of VWF modulates its interaction with ADAMTS13." Blood 111, no. 6 (2008): 3042–49. http://dx.doi.org/10.1182/blood-2007-06-095042.

Full text

Abstract:

Abstract We examined the role of N-linked glycan structures of VWF on its interaction with ADAMTS13. PNGase F digestion followed by lectin analysis demonstrated that more than 90% of VWF N-linked glycan chains could be removed from the molecule (PNG-VWF) without disruption of its multimeric structure or its ability to bind to collagen. PNG-VWF had an approximately 4-fold increased affinity for ADAMTS13 compared with control VWF. PNG-VWF was cleaved by ADAMTS13 faster than control VWF and was also proteolysed in the absence of urea. Occupancy of the N-linked glycan sites at N1515 and N1574 and

APA, Harvard, Vancouver, ISO, and other styles

40

ALAMI, Meriem, Hélène VACHER, Frank BOSMANS, et al. "Characterization of Amm VIII from Androctonus mauretanicus mauretanicus: a new scorpion toxin that discriminates between neuronal and skeletal sodium channels." Biochemical Journal 375, no. 3 (2003): 551–60. http://dx.doi.org/10.1042/bj20030688.

Full text

Abstract:

The venom of the scorpion Androctonus mauretanicus mauretanicus was screened by use of a specific serum directed against AaH II, the scorpion α-toxin of reference, with the aim of identifying new analogues. This led to the isolation of Amm VIII (7382.57 Da), which gave a highly positive response in ELISA, but was totally devoid of toxicity when injected subcutaneously into mice. In voltage-clamp experiments with rat brain type II Na+ channel rNav1.2 or rat skeletal muscle Na+ channel rNav1.4, expressed in Xenopus oocytes, the EC50 values of the toxin-induced slowing of inactivation were: 29±5

APA, Harvard, Vancouver, ISO, and other styles

41

Casares, Juan A., Pablo Espinet, José M. Martín-Álvarez, and Verónica Santos. "Neutral and Cationic Complexes with P-Bonded 2-Pyridylphosphines as N-Donor Ligands toward Rhodium. Electrical Charge vs Steric Hindrance on the Conformational Control." Inorganic Chemistry 45, no. 17 (2006): 6628–36. http://dx.doi.org/10.1021/ic0600477.

Full text

APA, Harvard, Vancouver, ISO, and other styles

42

Fundador, E. O. V., V. C. Sabularse Fundador, and M. A. J. R. Revilleza. "IMMOBILIZATION OF INVERTASE ON CARBOXYMETHYLCELLULOSE PREPARED FROM NATA DE COCO FOR THE INVERSION OF SUCROSE." ASEAN Journal on Science and Technology for Development 20, no. 1 (2017): 37–47. http://dx.doi.org/10.29037/ajstd.373.

Full text

Abstract:

Nata de coco, the cellulose produced by Acetobacter aceti with coconut water as substrate, was used as starting material in the synthesis of carboxymethylcellulose after treatment with NaOH and monochloroacetic acid. The product, referred to as carboxymethyl-“nata” (CMN), had a degree of substitution of 0.76, a higher value than those previously reported. This was used in the immobilization of invertase via ionic interaction and adsorptive forces, which produced a viscous colloidal suspension. Agar was incorporated to facilitate pellet formation. Interactions between the agar and the CMN-inver

APA, Harvard, Vancouver, ISO, and other styles

43

Preto, Jordane, and Isabelle Krimm. "The intrinsically disordered N-terminus of the voltage-dependent anion channel." PLOS Computational Biology 17, no. 2 (2021): e1008750. http://dx.doi.org/10.1371/journal.pcbi.1008750.

Full text

Abstract:

The voltage-dependent anion channel (VDAC) is a critical β-barrel membrane protein of the mitochondrial outer membrane, which regulates the transport of ions and ATP between mitochondria and the cytoplasm. In addition, VDAC plays a central role in the control of apoptosis and is therefore of great interest in both cancer and neurodegenerative diseases. Although not fully understood, it is presumed that the gating mechanism of VDAC is governed by its N-terminal region which, in the open state of the channel, exhibits an α-helical structure positioned midway inside the pore and strongly interact

APA, Harvard, Vancouver, ISO, and other styles

44

Chen, Yuqing, Xinping Xi, Chengbang Ma, et al. "Structure–Activity Relationship and Molecular Docking of a Kunitz-Like Trypsin Inhibitor, Kunitzin-AH, from the Skin Secretion of Amolops hainanensis." Pharmaceutics 13, no. 7 (2021): 966. http://dx.doi.org/10.3390/pharmaceutics13070966.

Full text

Abstract:

Kunitz-like trypsin inhibitors are one of the most noteworthy research objects owing to their significance in pharmacological studies, including anticarcinogenic activity, obesity regulation and anticoagulation. In the current study, a novel Kunitz-like trypsin inhibitor, Kunitzin-AH, was isolated from the skin secretion of Amolops hainanensis. The novel peptide displayed a modest trypsin inhibitory activity with the inhibitor constant (Ki) value of 1.18 ± 0.08 µM without inducing damage to healthy horse erythrocytes. Then, a series of shortened variants of Kunitzin-AH were designed by truncat

APA, Harvard, Vancouver, ISO, and other styles

45

Pesheva, P., R. Probstmeier, A. P. Skubitz, J. B. McCarthy, L. T. Furcht, and M. Schachner. "Tenascin-R (J1 160/180 inhibits fibronectin-mediated cell adhesion--functional relatedness to tenascin-C." Journal of Cell Science 107, no. 8 (1994): 2323–33. http://dx.doi.org/10.1242/jcs.107.8.2323.

Full text

Abstract:

Cell adhesion and neurite outgrowth on fibronectin is a multistep process modulated by different extra- and intracellular signals. Fibronectin-mediated cell attachment and spreading can be affected in a negative way by tenascin-C, an extracellular matrix glycoprotein expressed in a temporally and spacially restricted manner during early morphogenesis. Tenascin-R (J1-160/180), consisting of two major isoforms of 160 kDa (tenascin-R 160) and 180 kDa (tenascin-R 180) in mammals, is an extracellular matrix glycoprotein of the central nervous system that shares high structural homologies with tenas

APA, Harvard, Vancouver, ISO, and other styles

46

Hervé, Virginie, François Roy, Jean Bertin, Florian Guillou, and Marie-Christine Maurel. "Antiequine Chorionic Gonadotropin (eCG) Antibodies Generated in Goats Treated with eCG for the Induction of Ovulation Modulate the Luteinizing Hormone and Follicle-Stimulating Hormone Bioactivities of eCG Differently." Endocrinology 145, no. 1 (2004): 294–303. http://dx.doi.org/10.1210/en.2003-0595.

Full text

Abstract:

Abstract In dairy goats, treatments associating a progestogen and the equine chorionic gonadotropin (eCG) are the easiest way to induce and synchronize estrus and ovulation and to permit artificial insemination (AI) and/or out of season breeding. From the first treatment, the injection of eCG induces, in some females, the production of anti-eCG antibodies (Abs) that will interfere with the effectiveness of subsequent treatments. These anti-eCG Abs delay the preovulatory LH surge and the ovulation time, leading to poor fertility of the treated females. In this study, by in vitro bioassays, we s

APA, Harvard, Vancouver, ISO, and other styles

47

Magalhães, Machuqueiro, Almeida, et al. "Dynamical Rearrangement of Human Epidermal Growth Factor Receptor 2 upon Antibody Binding: Effects on the Dimerization." Biomolecules 9, no. 11 (2019): 706. http://dx.doi.org/10.3390/biom9110706.

Full text

Abstract:

Human epidermal growth factor 2 (HER2) is a ligand-free tyrosine kinase receptor of the HER family that is overexpressed in some of the most aggressive tumours. Although it is known that HER2 dimerization involves a specific region of its extracellular domain, the so-called “dimerization arm”, the mechanism of dimerization inhibition remains uncertain. However, uncovering how antibody interactions lead to inhibition of HER2 dimerization is of key importance in understanding its role in tumour progression and therapy. Herein, we employed several computational modelling techniques for a molecula

APA, Harvard, Vancouver, ISO, and other styles

48

Ganesan, Rajkumar, Charles Eigenbrot, and Daniel Kirchhofer. "Structural and mechanistic insight into how antibodies inhibit serine proteases." Biochemical Journal 430, no. 2 (2010): 179–89. http://dx.doi.org/10.1042/bj20100634.

Full text

Abstract:

Antibodies display great versatility in protein interactions and have become important therapeutic agents for a variety of human diseases. Their ability to discriminate between highly conserved sequences could be of great use for therapeutic approaches that target proteases, for which structural features are conserved among family members. Recent crystal structures of antibody–protease complexes provide exciting insight into the variety of ways antibodies can interfere with the catalytic machinery of serine proteases. The studies revealed the molecular details of two fundamental mechanisms by

APA, Harvard, Vancouver, ISO, and other styles

49

Johmoto, Kohei, Hidehiro Uekusa, Yuji Kikuchi, Hiroki Takahagi, Kosuke Ono, and Nobuharu Iwasawa. "Photochromism change by conformation control in macrocyclic boronic ester cavity." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C654. http://dx.doi.org/10.1107/s2053273314093450.

Full text

Abstract:

N-salicylideneaniline derivatives are known to show photochromism by UV light, and it depends on the molecular conformation in the crystal. The twisted molecule is photochromic but the planar one is not[1,2]. N-salicylidene-2-aminopyridine (2SAP) always has a planar conformation due to the chemical structure without steric hindrance, therefore 2SAP is known as non-photochromic. However, by confining the molecule in a cavity of the macrocyclic boronic ester 1[3], the conformation and photochromism can be controlled. The inclusion crystal of 1 (homo-parallel form) has a special feature to have a

APA, Harvard, Vancouver, ISO, and other styles

50

Harbison, Aoife, and Elisa Fadda. "An atomistic perspective on antibody-dependent cellular cytotoxicity quenching by core-fucosylation of IgG1 Fc N-glycans from enhanced sampling molecular dynamics." Glycobiology 30, no. 6 (2019): 407–14. http://dx.doi.org/10.1093/glycob/cwz101.

Full text

Abstract:

Abstract The immunoglobulin type G (IgG) Fc N-glycans are known to modulate the interaction with membrane-bound Fc γ receptors (FcγRs), fine-tuning the antibody’s effector function in a sequence-dependent manner. Particularly interesting in this respect are the roles of galactosylation, which levels are linked to autoimmune conditions and aging, of core fucosylation, which is known to reduce significantly the antibody-dependent cellular cytotoxicity (ADCC), and of sialylation, which also reduces antibody-dependent cellular cytotoxicity (ADCC) but only in the context of core-fucosylation. In th

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!