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41.
42.
Dr. Armin Welker Dr. Christian Kersten Dr. Christin Müller Dr. Ramakanth Madhugiri Collin Zimmer Patrick Müller Robert Zimmermann Stefan Hammerschmidt Hannah Maus Prof. John Ziebuhr Prof. Christoph Sotriffer Prof. Tanja Schirmeister 《ChemMedChem》2021,16(2):340-354
Inhibition of coronavirus (CoV)-encoded papain-like cysteine proteases (PLpro) represents an attractive strategy to treat infections by these important human pathogens. Herein we report on structure-activity relationships (SAR) of the noncovalent active-site directed inhibitor (R)-5-amino-2-methyl-N-(1-(naphthalen-1-yl)ethyl) benzamide ( 2 b ), which is known to bind into the S3 and S4 pockets of the SARS-CoV PLpro. Moreover, we report the discovery of isoindolines as a new class of potent PLpro inhibitors. The studies also provide a deeper understanding of the binding modes of this inhibitor class. Importantly, the inhibitors were also confirmed to inhibit SARS-CoV-2 replication in cell culture suggesting that, due to the high structural similarities of the target proteases, inhibitors identified against SARS-CoV PLpro are valuable starting points for the development of new pan-coronaviral inhibitors. 相似文献
43.
Natasha M. van Poppelen Jolique A. van Ipenburg Quincy van den Bosch Jolanda Vaarwater Tom Brands Bert Eussen Frank Magielsen Hendrikus J. Dubbink Dion Paridaens Erwin Brosens Nicole Naus Annelies de Klein Emine Kili Robert M. Verdijk 《International journal of molecular sciences》2021,22(11)
The aim of this study was exploration of the genetic background of conjunctival melanoma (CM) and correlation with recurrent and metastatic disease. Twenty-eight CM from the Rotterdam Ocular Melanoma Study group were collected and DNA was isolated from the formalin-fixed paraffin embedded tissue. Targeted next-generation sequencing was performed using a panel covering GNAQ, GNA11, EIF1AX, BAP1, BRAF, NRAS, c-KIT, PTEN, SF3B1, and TERT genes. Recurrences and metastasis were present in eight (29%) and nine (32%) CM cases, respectively. TERT promoter mutations were most common (54%), but BRAF (46%), NRAS (21%), BAP1 (18%), PTEN (14%), c-KIT (7%), and SF3B1 (4%) mutations were also observed. No mutations in GNAQ, GNA11, and EIF1AX were found. None of the mutations was significantly associated with recurrent disease. Presence of a TERT promoter mutation was associated with metastatic disease (p-value = 0.008). Based on our molecular findings, CM comprises a separate entity within melanoma, although there are overlapping molecular features with uveal melanoma, such as the presence of BAP1 and SF3B1 mutations. This warrants careful interpretation of molecular data, in the light of clinical findings. About three quarter of CM contain drug-targetable mutations, and TERT promoter mutations are correlated to metastatic disease in CM. 相似文献
44.
Alexander Zimmermann Qais Z. Jaber Dr. Johannes Koch Steffen Riebe Dr. Cecilia Vallet Dr. Kateryna Loza Matthias Hayduk Dr. Kfir B. Steinbuch Prof. Shirley K. Knauer Prof. Micha Fridman Jun.-Prof. Jens Voskuhl 《Chembiochem : a European journal of chemical biology》2021,22(9):1563-1567
We report the characterization of amphiphilic aminoglycoside conjugates containing luminophores with aggregation-induced emission properties as transfection reagents. These inherently luminescent transfection vectors are capable of binding plasmid DNA through electrostatic interactions; this binding results in an emission “on” signal due to restriction of intramolecular motion of the luminophore core. The luminescent cationic amphiphiles effectively transferred plasmid DNA into mammalian cells (HeLa, HEK 293T), as proven by expression of a red fluorescent protein marker. The morphologies of the aggregates were investigated by microscopy as well as ζ-potential and dynamic light-scattering measurements. The transfection efficiencies using luminescent cationic amphiphiles were similar to that of the gold-standard transfection reagent Lipofectamine® 2000. 相似文献
45.
An evaluation of the performance of an automated procedure for comparative modelling of protein tertiary structure 总被引:6,自引:0,他引:6
A 3-D model of a protein can be constructed from its amino acidsequence and the 3-D structures of one or more homologues byannealing three sets of fragments: the structurally conservedregions, structurally variable regions and the side chains.The method encoded in the computer program COMPOSER was assessedby generating 3-D models of eight proteins whose crystal structuresare already known and for which 3-D structures of homologuesare available. In the structurally conserved regions, differencesbetween modelled and X-ray structures are smaller than the differencesbetween the X-ray structures of the modelled protein and thehomologues used to build the model. When several homologuesare used, the contributions of the known structures are weighted,preferably by the square of sequence similarity; this is especiallyimportant when the similarities of the homologues to the modelledstructure differ greatly. The collar extensionapproach, in which a similar region of different length in ahomologue is used to extend the framework, can result in a moreaccurate model. If known homologues comprise more than one relatedgroup of proteins and they are both distantly related to theunknown, then alignment of the sequence to be modelled witheach group of homologues facilitates identification of structurallyconserved regions of the unknown and leads to an improved model.Models have root mean square differences (r.m.s.d.s) with thestructures defined by X-ray analysis of between 0.73 and 1.56Å for all C atoms, for seven of the eight models. Forthe model of mucor pepsin, where the closest homologue has 33%sequence identity and 20% of the residues are in structurallyvariable regions, the r.m.s.d. for the framework region is 1.71Å and the r.m.s.d. for all C atoms is 3.47 Â. 相似文献
46.
Tom G. Temperley 《Desalination》1980,33(1):99-107
The author describes operational experience with various materials of construction in both low temperature polyphosphate treated evaporators and also in high temperature evaporators using acid treatment.The author references the repeated use of unsuitable materials and proposes a solution by the development of more detailed and positive specifications for plant and equipment. A problem faced by many manufacturers is the fact that as a result of broad, open specifications they are forced to use inferior materials in order to remain competitive. The author discusses the use of both corrosion resistant linings and operating experience. In summary, the paper correlates the operating conditions with selection of materials. 相似文献
47.
Martin Saska Tomáš Krajník Vojtěch Vonásek Zdeněk Kasl Vojtěch Spurný Libor Přeučil 《Journal of Intelligent and Robotic Systems》2014,73(1-4):603-622
A fault-tolerant method for stabilization and navigation of 3D heterogeneous formations is proposed in this paper. The presented Model Predictive Control (MPC) based approach enables to deploy compact formations of closely cooperating autonomous aerial and ground robots in surveillance scenarios without the necessity of a precise external localization. Instead, the proposed method relies on a top-view visual relative localization provided by the micro aerial vehicles flying above the ground robots and on a simple yet stable visual based navigation using images from an onboard monocular camera. The MPC based schema together with a fault detection and recovery mechanism provide a robust solution applicable in complex environments with static and dynamic obstacles. The core of the proposed leader-follower based formation driving method consists in a representation of the entire 3D formation as a convex hull projected along a desired path that has to be followed by the group. Such an approach provides non-collision solution and respects requirements of the direct visibility between the team members. The uninterrupted visibility is crucial for the employed top-view localization and therefore for the stabilization of the group. The proposed formation driving method and the fault recovery mechanisms are verified by simulations and hardware experiments presented in the paper. 相似文献
48.
Kenton O’Hara Gerardo Gonzalez Graeme Penney Abigail Sellen Robert Corish Helena Mentis Andreas Varnavas Antonio Criminisi Mark Rouncefield Neville Dastur Tom Carrell 《Computer Supported Cooperative Work (CSCW)》2014,23(3):299-337
While surgical practices are increasingly reliant on a range of digital imaging technologies, the ability for clinicians to interact and manipulate these digital representations in the operating theatre using traditional touch based interaction devices is constrained by the need to maintain sterility. To overcome these concerns with sterility, a number of researchers are have been developing ways of enabling interaction in the operating theatre using touchless interaction techniques such as gesture and voice to allow clinicians control of the systems. While there have been important technical strides in the area, there has been little in the way of understanding the use of these touchless systems in practice. With this in mind we present a touchless system developed for use during vascular surgery. We deployed the system in the endovascular suite of a large hospital for use in the context of real procedures. We present findings from a study of the system in use focusing on how, with touchless interaction, the visual resources were embedded and made meaningful in the collaborative practices of surgery. In particular we discuss the importance of direct and dynamic control of the images by the clinicians in the context of talk and in the context of other artefact use as well as the work performed by members of the clinical team to make themselves sensable by the system. We discuss the broader implications of these findings for how we think about the design, evaluation and use of these systems. 相似文献
49.
Victoria J. Hodge Rajesh Krishnan Jim Austin John Polak Tom Jackson 《Neural computing & applications》2014,25(7-8):1639-1655
This paper introduces a binary neural network-based prediction algorithm incorporating both spatial and temporal characteristics into the prediction process. The algorithm is used to predict short-term traffic flow by combining information from multiple traffic sensors (spatial lag) and time series prediction (temporal lag). It extends previously developed Advanced Uncertain Reasoning Architecture (AURA) k-nearest neighbour (k-NN) techniques. Our task was to produce a fast and accurate traffic flow predictor. The AURA k-NN predictor is comparable to other machine learning techniques with respect to recall accuracy but is able to train and predict rapidly. We incorporated consistency evaluations to determine whether the AURA k-NN has an ideal algorithmic configuration or an ideal data configuration or whether the settings needed to be varied for each data set. The results agree with previous research in that settings must be bespoke for each data set. This configuration process requires rapid and scalable learning to allow the predictor to be set-up for new data. The fast processing abilities of the AURA k-NN ensure this combinatorial optimisation will be computationally feasible for real-world applications. We intend to use the predictor to proactively manage traffic by predicting traffic volumes to anticipate traffic network problems. 相似文献
50.
Campbell CA Cook FJ Pickett JA Pope TW Wadhams LJ Woodcock CM 《Journal of chemical ecology》2003,29(10):2225-2234
Gynoparous female and male damson-hop aphids, Phorodon humuli (Schrank), were caught in the field by water traps that were releasing the sex pheromone of this species, (1RS,4aR,7S,7aS)-nepetalactol. No behavioral activity was elicited by (4aS,7S,7aR)-nepetalactone, the major sex pheromone component of other aphid species such as Megoura viciae Buckton, even though olfactory cells were found in the secondary rhinaria on the third antennal segment of P. humuli that responded strongly to this compound. Gynoparous female P. humuli in the field responded less strongly to (1R,4aS,7S,7aR)-nepetalactol, the sex pheromone of the bird cherry-oat aphid, Rhopalosiphum padi (L.), than they did to the (4aR,7S,7aS)-nepetalactols, but males responded only to the latter. The (4aR,7S,7aS)-nepetalactone showed no electrophysiological activity so was not used in field trials. Releasing either the (4aS,7S,7aR)-nepetalactone or the (1R,4aS,7S,7aR)-nepetalactol with the (4aR,7S,7aS)-nepetalactols did not inhibit the response of P. humuli gynoparous females and males to the latter. Males of R. padi responded as strongly to the (4aR,7S,7aS)-nepetalactols as they did to (1R,4aS,7S,7aR)-nepetalactol. Males of P. humuli and R. padi responded positively to an increased concentration of the (4aR,7S,7aS)-nepetalactols released from two vials compared with that from a single vial, as did P. humuli (in one of two experiments) and R. padi to the (1RS,4aR,7S,7aS)- and (1R,4aS,7S,7aR)-nepetalactols when released together. 相似文献