Ricin is a potent cytotoxin easily purified in large quantities. It presents a significant public health concern due to its potential use as a bioterrorism agent. For this reason, extensive efforts have been underway to develop antidotes against this...
Structure-based and computer-aided drug design approaches are commonly considered to have been successful in the fields of cancer and antiviral drug discovery but not as much for antibacterial drug development. The search for novel anti-tuberculosis...
A hepatitis C virus (HCV) vaccine is a critical yet unfulfilled step in addressing the global disease burden of HCV. While decades of research have led to numerous clinical and pre-clinical vaccine candidates, these efforts have been hindered by fact...
The α-kinase, eEF2K, phosphorylates the threonine 56 residue of eEF2 to inhibit global peptide elongation (protein translation). As a master regulator of protein synthesis, in combination with its unique atypical kinase active site, investigati...
Welding is a consolidated technology used to manufacture/assemble large products and structures. Currently, welding design issues are tackled downstream of the 3D modeling, lacking concurrent development of design and manufacturing engineering activi...
With the significant growth of patients suffering from neurodegenerative diseases (NDs), novel classes of compounds targeting monoamine oxidase type B (MAO-B) are promptly emerging as distinguished structures for the treatment of the latter. As a pro...
The four receptors that signal for adenosine, A1, A2A, A2B and A3 ARs, belong to the superfamily of G protein-coupled receptors (GPCRs). They mediate a number of (patho)physiological functions and have attracted the interest of the biopharmaceutical...
The alarming rise of multidrug-resistant bacterial strains, coupled with decades of stagnation in the field of antibiotic development, necessitates exploration of new therapeutic approaches to treat bacterial infections. Targeting bacterial virulence...
The docking methods used in structure-based virtual database screening offer the ability to quickly and cheaply estimate the affinity and binding mode of a ligand for the protein receptor of interest, such as a drug target. These methods can be used...
The RNA-dependent RNA polymerase (RdRp) is an essential enzyme for the viral replication process, catalyzing the viral RNA synthesis using a metal ion-dependent mechanism. In recent years, RdRp has emerged as an optimal target for the development of...
This study quantifies the influence of soil–structure interaction (SSI) on key parameters of performance-based seismic design (PBSD) for steel moment-resisting frames. Specifically, PBSD is extended as a methodology in which explicit structural...
Hybrid molecules, integrating multiple pharmacophores within a single scaffold, represent a modern strategy in drug discovery, offering improved selectivity and safety. Anthranilic acid is a versatile building block with diverse biological activities...
Human coronaviruses represent a significant disease burden; however, there is currently no antiviral strategy to combat infection. The outbreak of severe acute respiratory syndrome (SARS) in 2003 and Middle East respiratory syndrome (MERS) less than...
Silicon anode is considered as one of the candidates for graphite replacement due to its highest known theoretical capacity and abundant reserve on earth. However, poor cycling stability resulted from the “volume effect” in the continuous charge-disc...
Structure-based design and synthesis of two biphenyl-N-acyl-β-d-glucopyranosylamine derivatives as well as their assessment as inhibitors of human liver glycogen phosphorylase (hlGPa, a pharmaceutical target for type 2 diabetes) is presented. X-...
Severe acute respiratory syndrome Coronavirus 2 (SARS-CoV-2) virus syndrome caused the recent outbreak of COVID-19 disease, the most significant challenge to public health for decades. Despite the successful development of vaccines and promising ther...
The membrane surface of enveloped viruses contains dedicated proteins enabling the fusion of the viral with the host cell membrane. Working with these proteins is almost always challenging because they are membrane-embedded and naturally metastable....
The notion of a contribution of a specific group in an organic molecule’s property and/or activity is both common in our thinking and is still not strictly correct due to the inherent non-additivity of free energy with respect to molecular frag...
Developing new, more effective antibiotics against resistant Mycobacterium tuberculosis that inhibit its essential proteins is an appealing strategy for combating the global tuberculosis (TB) epidemic. Finding a compound that can target a particular...
Sustainable building involves reducing negative environmental impacts with a simultaneous increase in life quality. The aim is to optimize building performances while considering all aspects of sustainability: environmental, economic, and social. The...
To realize sustainability in agricultural production, structure design and performance testing of biomass-based nursery trays was carried out in this study. Starting from meeting the agronomic requirements of rice seedling raising and mechanical tran...
Tadalafil is a clinically approved phosphodiesterase-5 inhibitor for the treatment of erectile dysfunction and pulmonary arterial hypertension. It contains two chiral carbons, and the marketed isomer is the 6R, 12aR isomer with a methyl substituent o...
The typical two-dimensional layered structure materials, MXenes, are widely used in energy conversion and storage due to their high conductivity, ion transport ability, and rich surface structures. Recently, MXenes and their composites have been wide...
Asymmetric base-isolated structures subjected to severe torsion may suffer further aggravation of their torsional and translational responses under pulse-type earthquakes. To counteract these detrimental impacts, this study introduces a two-stage opt...
The numerical model-based design is commonly applied to steel structures using advanced numerical models and analysis. These models often contain stress concentration zones, which can cause problems for designers within the evaluation process. There...
Reliability analysis and trade-offs between safety and cost with insufficient data represent an inevitable problem during the early stage of structural design. In this paper, efficient uncertainty theory-based reliability analysis and a design method...
The complexity of earthquakes and the nonlinearity of structures tend to increase the calculation cost of reliability-based design optimization (RBDO). To reduce computational burden and to effectively consider the uncertainties of ground motions and...
The study aims to develop an integrating risk-based formulation and cost-benefit analysis for identifying an optimal ship hull structural design solution where the steel cargo holds aluminium honeycomb sandwich panels to replace inner side shells. Th...
Surveys on the optimum seismic design of structures reveal that many investigations focus on minimizing initial costs while satisfying performance constraints. Although reducing initial costs while complying with earthquake design codes significantly...
As the increasing demand for clean-label, plant-based, and functional food systems, bigels, an innovative biphasic structured system composed of both hydrogels and oleogels, have emerged as promising research focus for delivering functional ingredien...
Since the well-known Millennium bridge accident happened at the beginning of this century, both researchers and engineers realized that the human-induced vibration may lead to unaffordable consequences. Although such vibrations hardly threaten the sa...
Towards a sustainable future in construction, worldwide efforts aim to reduce cement use as a binder core material in concrete, addressing production costs, environmental concerns, and circular economy criteria. In the last decade, numerous studies h...
In the digital context, how to achieve symmetrical integration between subjective evaluation and structural stability becomes the key to improving the design effect of iterative product optimization. In this paper, we propose an iterative design meth...
This paper investigates the optimal design of base-isolated structures equipped with tuned inerter dampers (TIDs) subjected to various ground motions. The Clough–Penzien model is employed to simulate the power spectrum of three types of ground...
This article adopts an orthogonal experimental design method to establish a four-factor three-level experimental group by varying the structural parameters at the nozzle outlet, including the number of orifices, orifice diameter, distribution circle...
To obtain the lattice structure with excellent energy absorption performance, the structure of loofah inner fiber is studied to develop bionic design of lattice structure by experiment and simulation analysis method. From the compression experiment a...
A critical challenge for managerial effectiveness and competitive advantage in research and development (R and D) organizations is developing an appropriate structural configuration. However, in finding an appropriate structural configuration, R and...
Vascular endothelial growth factor (VEGF) and its receptors (VEGFRs) play a main role in the regulation of angiogenesis and lymphangiogenesis. Furthermore, they are implicated in the onset of several diseases such as rheumatoid arthritis, degenerativ...
The emergence of novel viral infections of zoonotic origin and mutations of existing human pathogenic viruses represent a serious concern for public health. It warrants the establishment of better interventions and protective therapies to combat the...
This study first draws inspiration from the dual biomimetic design of plant cell walls and honeycomb structures, drawing on their structural characteristics to design a flexible shell structure that can achieve significant deformation and withstand l...
This paper reports the mechanical design, waveform investigation and experimental validation of an flexible-structure-based inertia-drive linear motor. The flexible structure is designed and verified with finite element analysis to meet the bandwidth...
The optimal size of a diversion structure should be carefully studied to ensure economic viability and safety during construction. In practice, to determine the size of a diversion structure, design flood frequency is selected as the suggested return...
In this paper, we propose context-based GK clustering and design a CGK-based granular model and a hierarchical CGK-based granular model. Existing fuzzy clustering generates clusters using Euclidean distances. However, there is a problem in that perfo...
Bacterial resistance to antibiotics urges the development of alternative therapies. Based on the structure-function of antimicrobial members of the RNase A superfamily, we have developed a hybrid enzyme. Within this family, RNase 1 exhibits the highe...
In this paper, a design method of diffraction structure based on metasurface is proposed for light splitting and focusing simultaneously. In the method, firstly, the light field calculation model of the proposed structure is established based on Fres...
Pharmaceutical research has successfully incorporated a wealth of molecular modeling methods, within a variety of drug discovery programs, to study complex biological and chemical systems. The integration of computational and experimental strategies...
The UAV cluster combat puts forward higher requirements for short-distance arresting gears for multitype aircraft. Based on magnetorheological technology, an arresting gear was designed, and the structural parameters of the MR damper were optimized....
The accurate analysis of key components of a spherical hinge structure directly affects bridge quality and safety during construction. Considering the key components of a spherical joint structure as the research object, a refined calculation model f...
Space mesh antennas require large-diameter reflectors to achieve aperture surfaces with high gain. To date, many pioneering studies have pursued deployable mechanisms capable of achieving high deployment ratios, primarily focusing on ring and umbrell...
The housing and bracket structure are critical components of multispectral cameras; the mechanical properties significantly affect the stability of the optical system and the imaging quality. At the same time, their weight directly impacts the overal...
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