508 Results Found

Due to human activities, the evolution of the lower reaches of the Yangtze River is complex, and the underwater terrain near the docks is varied. There may be serious erosion and sedimentation of the bank slope, which will affect the stability and ca...

Electric vehicles are progressively introduced in urban areas, because of their ability to reduce air pollution, fuel consumption and noise nuisance. Nowadays, some big cities are launching the first electric car-sharing projects to clear traffic jam...

Interactions between protein molecules are essential for the assembly, function, and regulation of proteins. The contact region between two protein molecules in a protein complex is usually complementary in shape for both molecules and the area of th...

Piperlongumine (PPL) is an alkaloid extracted from several pepper species that exhibits anti-inflammatory and anti-carcinogenic properties. Nevertheless, the molecular mode of action of PPL that confers such powerful pharmacological properties remain...

Synaptic vesicles dock on the presynaptic plasma membrane of axon terminals and become ready to fuse with the presynaptic membrane or primed. Fusion of the vesicle membrane and presynaptic membrane results in the formation of a pore between the membr...

This paper identifies the major research concepts, techniques, and models covered in the cross-docking literature. A systematic literature review is conducted using the BibExcel bibliometric analysis and Gephi network analysis tools. A research focus...

Blocking protein-protein interactions (PPI) using small molecules or peptides modulates biochemical pathways and has therapeutic significance. PPI inhibition for designing drug-like molecules is a new area that has been explored extensively during th...

Aiming to solve the problem of collisions that may occur with ships during the operation of the floating dock, which may lead to functional failure or even destruction of the dock, a new collision avoidance device has been researched and designed. Th...

Autonomous underwater vehicles (AUVs) are important in areas such as underwater scientific research and underwater resource collection. However, AUVs suffer from data portability and energy portability problems due to their physical size limitation....

Motivation: Bringing a new drug to the market is expensive and time-consuming. To cut the costs and time, computer-aided drug design (CADD) approaches have been increasingly included in the drug discovery pipeline. However, despite traditional dockin...

DNA is a molecular target for the treatment of several diseases, including cancer, but there are few docking methodologies exploring the interactions between nucleic acids with DNA intercalating agents. Different docking methodologies, such as AutoDo...

The growth of marine traffic in harbors, and the subsequent increase in vessel and propulsion system sizes, produces three linked problems at the harbor basin area: (i) higher erosion rates damaging docking structures; (ii) sedimentation areas reduci...

Parkinson’s disease is a neurodegenerative disease which involves the malfunction and death of vital nerve cells in the brain, called neurons, which produce dopamine. Dopamine is a neurotransmitter that communicates with the area of the brain r...

he present art of drug discovery and design of new drugs is based on suicidal irreversible inhibitors. Covalent inhibition is the strategy that is used to achieve irreversible inhibition. Irreversible inhibitors interact with their targets in a time-...

Thedistribution of products stands out as one of the pivotal activities for logistics companies in recent years, particularly in the aftermath of the COVID-19 pandemic and other geopolitical events. Intense competition compels companies to efficientl...

Piglets experience welfare issues during the nursery phase. This pilot study aimed to test a protocol for identifying the main welfare issues in suckling piglets and to investigate relationships among animal-based indicators and management conditions...

Necroptosis has emerged as an exciting target in oncological, inflammatory, neurodegenerative, and autoimmune diseases, in addition to acute ischemic injuries. It is known to play a role in innate immune response, as well as in antiviral cellular res...

Recent research papers have confirmed the prevalence of microorganisms resistant to numerous antimicrobial agents, leading to spreading infections, extended hospitalizations, and increased mortality rates. The amplifying factors stimulate the need to...

Earth observation with unmanned aerial vehicles (UAVs) offers an extraordinary opportunity to bridge the gap between field observations and traditional air and space-borne remote sensing. In this regard, ground landing stations (GLS) systems play a c...

Laws, regulations and professional standards increasingly aim to ban or restrict non-therapeutic tail docking in canine puppies. These constraints have usually been justified by reference to loss of tail participation in communication between dogs, t...

The effect of the plum rain weather event on cycling trips reflects the climate resilience of the public bicycle system. However, quantitative studies regarding the impact of plum rain on public bicycle users and corresponding spatial heterogeneity h...

Multiple feeding modes, including walking, bus, private bike, docked bike-sharing, private electric bike (e-bike), car, and taxi, are applied for better accessibility in a metro-based trip. It is crucial to understand their access/egress distances an...

The P-glycoprotein (P-gp/ABCB1) is responsible for a xenobiotic efflux pump that shackles intracellular drug accumulation. Additionally, it is included in the dud of considerable antiviral and anticancer chemotherapies because of the multidrug resist...

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a contemporary coronavirus, has impacted global economic activity and has a high transmission rate. As a result of the virus’s severe medical effects, developing effective vaccinations is...

Hendra virus (HeV) belongs to the paramyxoviridae family of viruses which is associated with the respiratory distress, neurological illness, and potential fatality of the affected individuals. So far, no competitive approved therapeutic substance is...

Virtual screening (VS) is a well-established method in the initial stages of many drug and material design projects. VS is typically performed using structure-based approaches such as molecular docking, or various ligand-based approaches. Most dockin...

Bicycle sharing systems are becoming increasingly popular in cities around the world as they are an inexpensive and sustainable means of transportation. Promoting the use of these systems substantially improves the quality of life in cities by reduci...

The discovery of medicinal plants is crucial for drug development. Eucalyptus globulus leaves are used as a traditional medicine in many areas of world due to herbicidal and insecticidal activity. While natural products are difficult to be separated...

Typhoid fever caused by the bacteria Salmonella typhi gained resistance through multidrug-resistant S. typhi strains. One of the reasons behind β-lactam antibiotic resistance is -lactamase. L, D-Transpeptidases is responsible for typhoid fever a...

Aims: Angiotensin-converting enzyme 2 (ACE2) plays an important role in the entry of coronaviruses into host cells. The current paper described how carnosine, a naturally occurring supplement, can be an effective drug candidate for coronavirus diseas...

The SARS-CoV-2 main protease (Mpro, also known as 3CLpro) is a key target for antiviral therapy due to its critical role in viral replication and maturation. This study investigated the inhibitory effects of Bofutrelvir, Nirmatrelvir, and Selinexor o...

Molecular docking has been widely employed as a fast and inexpensive technique in the past decades, both in academic and industrial settings. Although this discipline has now had enough time to consolidate, many aspects remain challenging and there i...

Modern public transportation in urban areas increasingly relies on high-capacity buses. At the same time, the share of electric vehicles is increasing to meet environmental standards. This introduces problems when charging these vehicles from charger...

Computer-aided drug design techniques are today largely applied in medicinal chemistry. In particular, receptor-based virtual screening (VS) studies, in which molecular docking represents the gold standard in silico approach, constitute a powerful st...

Climate change is a global challenge with multiple consequences. One of its impacts is the increase in heatwave frequency and intensity. The risk is higher for populations living in urban areas, where the highest temperatures are generally identified...

In the recent cancer treatment, B-Raf kinase is one of key targets. Nowadays, a group of imidazopyridines as B-Raf kinase inhibitors have been reported. In order to investigate the interaction between this group of inhibitors and B-Raf kinase, molecu...

Cytarabine, daunorubicin, doxorubicin and vincristine are clinically used for combinatorial therapies of cancers in different combinations. However, the knowledge about the interaction of these drugs with the metabolizing enzyme cytochrome P450 is li...

The underwater docking of autonomous underwater vehicles (AUVs) is conducive to energy supply and data exchange. A vision-based high-precision estimation of “the positions and poses of an AUV relative to a docking station” (PPARD) is a ne...

Background/Objectives: DPP4 is an enzyme with multiple natural substrates and probable involvement in various mechanisms. It constitutes a drug target for the treatment of diabetes II, although, also related to other disorders. While a number of drug...

Comparative studies using lysophosphatidic acid (LPA) and the synthetic agonist, oleoyl-methoxy glycerophosphothionate (OMPT), in cells expressing the LPA3 receptor revealed differences in the action of these agents. The possibility that more than on...

Background: This study investigated the process of selecting sustainable safety protocols for floating dock operations in shipyards by identifying potential workplace risks in emergency situations. Thirteen occupational hazards for shipyard floating...

Ebola virus (EBOV) is one of the most lethal pathogens that can infect humans. The Ebola viral protein VP35 (EBOV VP35) inhibits host IFN-α/β production by interfering with host immune responses to viral invasion and is thus considered as...

Bicycle sharing systems (BSSs) have established a new shared-economy mobility model. After a rapid growth they are evolving into a fully-functional mobile sensor platform for cities. The viability of BSSs is floored by their operational costs, mainly...

Due to global ecological restrictions, cities, particularly urban transportation, must choose ecological solutions. Sustainable bike-sharing systems (BSS) have become an important element in the worldwide transportation infrastructure as an alternati...

Beta-amyloid peptide (Aβ) is a ligand associated with RAGE (Advanced glycosylation end product-specific receptor). Aβ is translocated in complexes with RAGE from the blood to brain across the blood–brain barrier (BBB) by transcytosis....

Continuing the work developed by our research group, in the present manuscript, we performed a theoretical study of 10 new structures derived from the antivirals cidofovir and ribavirin, as inhibitor prototypes for the enzyme thymidylate kinase from...

Many chemicals that enter the environment, food chain, and the human body can disrupt androgen-dependent pathways and mimic hormones and therefore, may be responsible for multiple diseases from reproductive to tumor. Thus, modeling and predicting and...

Tankyrase enzymes (TNKS), a core part of the canonical Wnt pathway, are a promising target in the search for potential anti-cancer agents. Although several hundreds of the TNKS inhibitors are currently known, identification of their novel chemotypes...

(1) Background: SARS-CoV-2 Omicron BA.1 is the most common variation found in most countries and is responsible for 99% of cases in the United States. To overcome this challenge, there is an urgent need to discover effective inhibitors to prevent the...

This study demonstrates the inhibitory effect of 42 pyrimidonic pharmaceuticals (PPs) on the 3-chymotrypsin-like protease of SARS-CoV-2 (3CLpro) through molecular docking, molecular dynamics simulations, and free binding energies by means of molecula...