Absence of a substrate state forHe3in a−43He bulk mixture in proximity to a strong-binding surface

1995 ◽  
Vol 52 (17) ◽  
pp. 12530-12533 ◽  
Author(s):  
P. A. Sheldon ◽  
R. B. Hallock
Keyword(s):  
Strong Binding ◽  
Binding Surface ◽  
Substrate State

Carborane Guests for Cucurbit[7]uril Facilitate Strong Binding and on Demand Removal

2020 ◽  
Author(s):  
Anna Kataki-Anastasakou ◽  
Jonathan C. Axtell ◽  
Selena Hernandez ◽  
RafalM. Dziedzic ◽  
Gary J. Balaich ◽  
...  
Keyword(s):  
Free State ◽  
Stimuli Responsive ◽  
Additional Consideration ◽  
Boron Clusters ◽  
High Affinity ◽  
On Demand ◽  
Azide Anion ◽  
Strong Binding

High affinity guest have been reported for the macrocyclic host cucurbit[7]uril (CB[7]), enabling widespread applications, but preventing CB[7] materials from being returned to their guest-free state for reuse. Here we present polyhedral boron clusters (carboranes) as strongly-binding, yet easily removable, guests for CB[7]. Aided by a Pd-catalyzed coupling of an azide anion, we prepared boron-functionalized 9<i>-</i>amino and 9-ammonium modified <i>ortho-</i>carboranes that bind to CB[7] with a <i>K<sub>a</sub></i>=10<sup>10</sup> M<sup>-1</sup>. Upon treatment with base, the <i>ortho</i>-carboranes<i> </i>readily undergo deboronation to yield anionic <i>nido</i>-carborane, a poor guest of CB[7], facilitating recovery of guest-free CB[7]. We showcase the utility of the modified <i>ortho</i>-carborane guest by recycling a CB[7]-functionalized resin. With this report, we introduce stimuli-responsive decomplexation as an additional consideration in the design of high affinity host-guest complexes.

Design, Synthesis, Antimicrobial and Anti-biofilm Evaluation, and Molecular Docking of Newly Substituted Fluoroquinazolinones

2019 ◽  
Vol 15 (6) ◽  
pp. 659-675
Author(s):  
Mohamed F. Zayed ◽  
Sabrin R.M. Ibrahim ◽  
EL-Sayed E. Habib ◽  
Memy H. Hassan ◽  
Sahar Ahmed ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antimicrobial Agents ◽  
Receptor Site ◽  
Docking Study ◽  
Diffusion Method ◽  
Molecular Docking Study ◽  
Active Compounds ◽  
Highly Active ◽  
Strong Binding ◽  
Agar Disc

Background: Quinazolines and quinazolinones derivatives are well known for their important range of therapeutic activities. Objective: The study aims to carry out the synthesis of some derivatives of substituted fluoroquinazolinones based on structure-based design and evaluation of their antibacterial, antifungal, and anti-biofilm activities. Methods: Compounds were chemically synthesized by conventional methods. Structures were established on the basis of spectral and elemental analyses. The antimicrobial potential was tested against various microorganisms using the agar disc-diffusion method. MIC and MBC as well as anti-biofilm activity for the highly active compounds were assessed. Moreover, the computational studies were performed using Auto dock free software package (version 4.0) to explain the predicted mode of binding. Results: All derivatives (5-8), (10a-g), and (A-H) were biologically tested and showed significant antimicrobial activity comparable to the reference compounds. Compounds 10b, 10c, and 10d had a good MIC and MBC against Gram-positive bacteria, whereas 10b and 10d showed significant MIC and MBC against Gram-negative bacteria. However, compounds E and F exhibited good MIC and MBC against fungi. Compound 10c and 8 exhibited significant anti-biofilm activity towards S. aureus and M. luteus. Molecular docking study revealed a strong binding of these derivatives with their receptor-site and detected their predicted mode of binding. Conclusion: The synthesized derivatives showed promising antibacterial, antifungal, and antibiofilm activities. Modeling study explained their binding mode and showed strong binding affinity with their receptor-site. The highly active compounds 5 and 10c could be subjected to future optimization and investigation to be effective antimicrobial agents.

scholarly journals In Silico Screening of Mutated K-Ras Inhibitors from Malaysian Typhonium flagelliforme for Non-Small Cell Lung Cancer

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
Ayesha Fatima ◽  
H. F. Yee
Keyword(s):  
Lung Cancer ◽  
Small Cell Lung Cancer ◽  
Cell Lung Cancer ◽  
Small Cell ◽  
Small Cell Lung ◽  
Anticancer Properties ◽  
Binding Surface ◽  
Switch Regions ◽  
Local Plant ◽  
High Binding Affinity

K-ras is an oncogenic GTPase responsible for at least 15–25% of all non-small cell lung cancer cases worldwide. Lung cancer of both types is increasing with an alarming rate due to smoking habits in Malaysia among men and women. Natural products always offer alternate treatment therapies that are safe and effective. Typhonium flagelliforme or Keladi Tikus is a local plant known to possess anticancer properties. The whole extract is considered more potent than individual constituents. Since K-ras is the key protein in lung cancer, our aim was to identify the constituents of the plant that could target the mutated K-ras. Using docking strategies, reported potentially active compounds of Typhonium flagelliforme were docked into the allosteric surface pockets and switch regions of the K-ras protein to identify possible inhibitors. The selected ligands were found to have a high binding affinity for the switch II and the interphase region of the ras-SOS binding surface.

A new family of plant transcription factors displays a novel ssDNA-binding surface

2002 ◽  
Vol 9 (7) ◽  
pp. 512-517 ◽  
Author(s):  
Darrell Desveaux ◽  
Julie Allard ◽  
Normand Brisson ◽  
Jurgen Sygusch
Keyword(s):  
Transcription Factors ◽  
Ssdna Binding ◽  
New Family ◽  
Binding Surface

scholarly journals Theoretical prediction by DFT and experimental observation of heterocation-doping effects on hydrogen adsorption and migration over the CeO2(111) surface

2021 ◽  
Author(s):  
Kota Murakami ◽  
Yuta Mizutani ◽  
Hiroshi Sampei ◽  
Atsushi Ishikawa ◽  
Yuta Tanaka ◽  
...  
Keyword(s):  
Theoretical Prediction ◽  
Experimental Observation ◽  
Ionic Radius ◽  
Hydrogen Adsorption ◽  
Strong Binding ◽  
Doping Effects ◽  
Small Ionic Radius ◽  
And Migration

The addition of dopants with a small ionic radius led to strong binding of H atoms, and the balance of H+ reactivity (mobility) and H+ coverage was fundamentally important for high H+ conductivity and catalysis involving surface protonics.

scholarly journals A glycoside analog of mammalian oligomannose formulated with a TLR4-stimulating adjuvant elicits HIV-1 cross-reactive antibodies

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Jean-François Bruxelle ◽  
Tess Kirilenko ◽  
Nino Trattnig ◽  
Yiqiu Yang ◽  
Matteo Cattin ◽  
...  
Keyword(s):  
Transgenic Mice ◽  
Envelope Protein ◽  
Protein Sequence ◽  
Neutralizing Antibodies ◽  
Human Antibody ◽  
Broadly Neutralizing Antibodies ◽  
Specific Antibodies ◽  
Strong Binding ◽  
Hiv Envelope ◽  
Hiv 1

AbstractThe occurrence of oligomannose-specific broadly neutralizing antibodies (bnAbs) has spurred efforts to develop immunogens that can elicit similar antibodies. Here, we report on the antigenicity and immunogenicity of a CRM197-conjugate of a previously reported oligomannose mimetic. Oligomannose-specific bnAbs that are less dependent on interactions with the HIV envelope protein sequence showed strong binding to the glycoconjugates, with affinities approximating those reported for their cognate epitope. The glycoconjugate is also recognized by inferred germline precursors of oligomannose-specific bnAbs, albeit with the expected low avidity, supporting its potential as an immunogen. Immunization of human-antibody transgenic mice revealed that only a TLR4-stimulating adjuvant formulation resulted in antibodies able to bind a panel of recombinant HIV trimers. These antibodies bound at relatively modest levels, possibly explaining their inability to neutralize HIV infectivity. Nevertheless, these findings contribute further to understanding conditions for eliciting HIV-cross-reactive oligomannose-specific antibodies and inform on next steps for improving on the elicited response.

scholarly journals Design of High-Throughput Screening Assays and Identification of a SUMO1-Specific Small Molecule Chemotype Targeting the SUMO-Interacting Motif-Binding Surface

2015 ◽  
Vol 17 (4) ◽  
pp. 239-246 ◽  
Author(s):  
Aileen Y. Alontaga ◽  
Yifei Li ◽  
Chih-Hong Chen ◽  
Chen-Ting Ma ◽  
Siobhan Malany ◽  
...  
Keyword(s):  
Small Molecule ◽  
High Throughput ◽  
High Throughput Screening ◽  
Binding Surface ◽  
Screening Assays
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