Articles tagged with Drug Design
A team at Cal Tech developed a novel approach to building a water force field, demonstrating its accuracy in predicting various properties of water. The new force field shows promise in improving drug design and understanding anomalous characteristics of water.
UK researchers identify molecules that can effectively inhibit dysregulated proteins responsible for acute myeloid leukemia, a severe and rapidly progressing cancer type. The discovery sets the stage for new biological experiments and cancer treatment approaches.
Researchers at Colorado State University have created a new carbon-carbon bond reaction using phosphorus to stitch together molecular rings called pyridines. This reaction could fling open an underexplored wing of biologically relevant chemistry, allowing for the discovery of new drugs.
Researchers at Ohio State University developed a new method to generate ketyl radicals, enabling the design of new synthetic drugs. The process uses manganese as a catalyst activated by an LED light, resulting in more controlled, wasteful, and selective product formation.
Human clinical trials for DesignMedix and Portland State's anti-malarial drug DM1157 have begun, assessing the drug's safety and absorption in healthy volunteers. The Phase I study aims to overcome growing resistance among malaria medicines, with potential approval for treatment of millions.
The University of North Carolina at Chapel Hill has developed a new method of single-particle tracking based on machine learning, achieving higher accuracy and automation than current techniques. The technique is widely used in physical and life sciences to track individual particles such as viruses, cells, and drug-loaded nanoparticles.
The American Chemical Society has announced its 2018 Talented 12, a group of young scientists working to solve the world's most pressing problems. These innovators are deciphering life on Earth, exploring molecules in space, and developing gene editing technology.
Researchers at NUS have developed an AI technology platform that can quickly determine the most effective drug combination for a patient. The Quadratic Phenotypic Optimisation Platform (QPOP) uses small experimental data sets to identify effective drug combinations and personalized treatment options.
An artificial-intelligence approach called ReLeaSE can teach itself to design new drug molecules from scratch. The system comprises two neural networks that learn and improve over time, generating molecules with specified properties.
Researchers at Tufts University have developed smart bandages with integrated pH and temperature sensors that can detect infection and inflammation. These bandages can deliver targeted drug treatments to improve the chances of healing for chronic wounds, which are a significant medical problem affecting millions of people worldwide.
Researchers have developed a new class of biosensors that can study biomembrane interactions and reveal how cells respond to disease molecules. This technology has significant implications for designing more effective anti-infective drugs and novel cancer treatments.
In a recent study published in JAMA Network, synthetic opioids were found to be involved in 45.9% of opioid-related deaths in 2016, up from 14.3% in 2010. The study highlights the growing threat of synthetic opioids, particularly fentanyl, and their increasing role in overdose deaths
Researchers at the University of California - Berkeley have discovered the molecular structure of human telomerase, a key enzyme in aging and cancer. The detailed picture reveals possible drug-target sites, allowing for more targeted treatments to be developed.
A multi-institutional project has provided new understanding of how GPCRs regulate in response to physiological ions like sodium, calcium, and magnesium. This research could lead to more effective drugs for controlling pain, hunger, and other conditions by targeting the receptors' function.
Scientists at Brigham and Women's Hospital have created a hydrogel that responds to increased disease activity during flares, releasing drugs to alleviate symptoms. The technology has shown promise in preclinical models and could provide a new treatment option for patients with arthritis.
Most antibiotic courses for acute sinus infection in adults exceed five days, despite guidelines recommending a maximum of seven days. The study analyzed over 3.7 million visits by private practice physicians and found that nearly 70% of prescribed treatments lasted longer than 10 days.
Researchers at Rockefeller University discover a molecular doorstop antibiotic that kills Mycobacterium tuberculosis, but not suitable for clinical use. By understanding its mechanism of action, medicinal chemists can design new antibiotics that target specific enzymes, offering hope for a more targeted treatment against the disease.
Researchers found that mice increased their running on a wheel two hours before the door to the nebulizing chamber was open. The activated brain regions included those implicated in reward processing and craving: the orbitofrontal cortex, dorsomedial hypothalamus, and lateral septum.
Researchers will collect data from survivors of viral outbreaks to understand how some people fight off the disease. The goal is to inform vaccine design, develop new diagnostics, and prevent future outbreaks.
A recent neutron analysis of glaucoma drugs and their interaction with human carbonic anhydrase II (hCA II) enzyme revealed the impact of temperature, pH, and electrical charge on drug targeting. The study provides new information about hydrogen-bonding networks in hCA II, which may aid in designing more effective cancer treatments.
A team of researchers from Case Western Reserve University School of Medicine has used cryo-electron microscopy to capture the structure of full-length serotonin receptors for the first time. This breakthrough provides valuable insights into molecular binding sites that could lead to more precise drug design and targeted therapies.
Researchers have deciphered the molecular structure of an antipsychotic docked in its key receptor, revealing a deep pocket that could be targeted to design more selective drugs with fewer side effects. This discovery may hold secrets to designing better treatments for schizophrenia and bipolar disorder.
Researchers identify hundreds of genetic changes that enable malaria parasite resistance to multiple drugs. The study provides insights into the development of drug-resistant strains, highlighting potential targets for novel treatment options.
Researchers at Scripps Research Institute use nuclear magnetic resonance spectroscopy to study the A2a adenosine receptor, revealing its dynamic structure and a
Compound I, a non-nucleoside reverse transcriptase inhibitor, exhibited synergistic properties and suppressed viral loads in HIV-1-infected humanized mice. The compound sustained plasma drug concentrations and effectiveness for approximately 3 weeks in mice, suggesting potential in pre-exposure treatments.
Researchers have developed a new method to design ordered peptide macrocycles with high accuracy, solving long-standing problems in peptide therapeutics development. The approach uses natural amino acids and their mirror opposites to improve pharmacological properties and provide a diverse range of shapes.
A recent study found that drugs reviewed through FDA's expedited programs were approved in median development times of 7.1 years, significantly faster than those in non-expedited programs. This analysis provides new insights into the effectiveness of these accelerated review pathways for treating serious diseases.
Researchers at UNC-Chapel Hill and UCSF have solved the crystal structure of a specific dopamine receptor called D4 at an incredibly high resolution, allowing them to design a new compound that tightly binds only to D4. This breakthrough could lead to more precise psychiatric drugs with fewer side effects.
Researchers at Monash University have created the first high-resolution structure of the Type II secretion system in Pseudomonas aeruginosa, a critical component in the bacteria's ability to secrete toxins. This breakthrough could lead to the development of new drugs targeting this nanomachine to reduce virulence and combat infection.
A team of researchers from Instituto de Medicina Molecular used a pioneer method to modify proteins involved in infectious diseases. They identified a novel molecular mechanism that protects pathogenic bacteria from oxidative processes.
Researchers developed a new approach to analyze drug-protein interactions, revealing the specific amino acids involved in binding. This allows for more precise chemical requirements and stronger, selective drug candidates.
Researchers at Osaka University have developed a highly efficient way to make unique screw-like chemicals that can produce pure mirror images of other molecules. The new sulfur-containing group could be used as asymmetric catalysts in reactions.
The article presents a series of grid-based computational technologies for in silico virtual screening and molecular design of new drugs. The technologies use original CoMIn software to analyze molecular structure in terms of intermolecular interactions potentials and quantum functions.
The von Willebrand factor molecule undergoes a two-step transformation to activate blood clotting in response to changes in blood flow, which can help prevent hemorrhage or life-threatening blood clots. The findings could inspire smart drugs that target only diseased areas of the body, reducing the risk of excessive bleeding.
Researchers found that only half of Accelerated Approval post-approval studies were completed within three years, and the characteristics did not differ much from pre-approval studies. The proportion of randomized or blinded trials was also similar.
A study published in JAMA found that drugs granted accelerated FDA approval often relied on nonrandomized studies and surrogate measures to confirm efficacy, with many lacking statistically detectable differences in design features between pre- and post-approval trials. Despite positive results from postmarketing studies, clinical bene...
Research provides molecular blueprints for bacterial enzymes, enabling targeted drug development. Key differences between bacterial and human enzymes offer a potential solution to antibiotic resistance.
Researchers develop rhodanine-based compounds to solubilize poorly water-soluble drugs, inhibiting tau protein aggregation and improving cell viability. The formulation additives preserve drug efficacy and activity, offering opportunities for early-stage drug testing.
Researchers developed peptide-polymer conjugates to enhance water solubility of poorly soluble anti-Alzheimer drugs. The conjugates showed inhibitory activity against Tau protein aggregation, improving cell viability and reducing apoptosis in AD models.
A new research design from Perelman School of Medicine scientists provides a more effective way to assess the safety of newly approved drugs and those with rapidly increasing or declining use. This trend-in-trend method can identify rare side effects and provide accurate results, even in the absence of comparable control groups.
Researchers have designed a safer antiplatelet drug based on a snake venom protein that interacts with platelets to form blood clots. The new study found that the molecule prevented platelet clotting and slowed down blood clot formation in mice, without increasing bleeding risk.
A recent study found that specific types of vaginal bacteria, such as Gardnerella vaginalis, can rapidly break down the active form of an HIV prevention medication, tenofovir. This degradation renders the drug less effective in preventing HIV acquisition among women.
A new mass spectrometry-based screening method enables quick turnaround of drug screens and can be used in emergency rooms to detect lethal compounds. The low-cost cartridges are estimated to cost less than $10 each, making them accessible to health facilities of any size.
A team of researchers at Osaka University used advanced technology to investigate the interaction between anti-TNF drugs and tumor necrosis factor (TNF). They found that the size and shape of the TNF-drug complexes differ among three tested drugs, with implications for predicting therapeutic effects and optimizing drug design.
A team of chemists from Italy and Canada has developed a molecular slingshot made of DNA that can deliver drugs to precise locations in the human body. The device uses a synthetic DNA strand with anchoring moieties that bind to target antibodies, releasing a loaded drug upon recognition.
Glicksberg's study found that specimen pH, temperature and chemical structure had a significant influence on drug stability. Her research may help predict the stability of future synthetic cathinones.
Researchers applied bioinformatics to develop and evaluate boron-containing compounds for treating cancer and infectious diseases. Computational approaches facilitate pharmacochemical analysis, revealing essential parameters of the boron atom and its effects on biological systems.
A recent study from Indiana University found that tiny changes in protein atom movement can significantly impact bacterial function and evolution. Researchers discovered that atomic motions play a major role in controlling protein activity, allowing bacteria to rapidly evolve new ways to overcome medical treatment.
EPFL scientists developed a new computer model to predict allosteric pathways for enzymes and other proteins, enabling more efficient drug design. The model proposes a new hypothesis for allosteric architectures, introducing the concept of 'levers' that amplify responses at a distance.
A team of researchers developed a new strategy using computational modeling to simulate how liver cells respond to different doses of 15 drugs. The approach integrated experimental observations with knowledge of drug distribution and metabolism, revealing similar responses across different drugs.
A new computational model describes the metabolism of Chinese hamster ovary cells (CHO), enabling comprehensive simulations to optimize protein production. The iCHO1766 model has been tested with high accuracy, promising to reduce the cost and increase the availability of biotherapeutic proteins.
A novel sulfur-containing molecule has been identified with potent anticandidal activity, offering a new lead for designing effective drugs against Candida species. This discovery highlights the potential of endophytes as a source of bioactive compounds for developing novel medicines.
An international team has developed a new method to analyze RNA structures linked to cancer. The research aims at understanding how four-stranded RNA structures called G-quadruplexes affect cellular processes such as RNA splicing, which is essential for producing proteins.
Alexander N. Zelikin, a leading expert in medical polymer materials, has been honored with the 2016 Lundbeckfonden Research Prize for Young Scientists for his pioneering work on hydrogel biomaterials and enzyme-prodrug therapies. His research focuses on developing innovative solutions to complex medical issues.
The article presents a comprehensive overview of in silico drug repurposing methods, highlighting the advantages and disadvantages of various techniques. The authors emphasize the potential of incorporating deep learning approaches into modular workflows, which can accelerate development and reduce costs.
In a preclinical model, researchers successfully suppressed cued cocaine seeking by activating brain receptors involved in suppressing addiction relapse. The technology, called DREADDs, allows for targeted treatment of addiction with minimal side effects.
The team created highly uniform arrays of low surface tension functional water-based droplets for biochemical experiments, overcoming current patterning limitations. This non-contact method has potential applications in drug discovery and clinical diagnostics.
Scientists found that an insulin molecule produced by cone snails may improve upon fast-acting therapeutic insulin, potentially starting to work in as little as five minutes. The study suggests studying complex venom cocktails can lead to new drug discoveries.
Researchers discovered that c-Jun N-terminal kinase (JNK) activates SIRT6 to repair broken DNA strands. The study found that JNK modifies a specific amino acid residue on SIRT6, allowing it to recruit the enzyme PARP1 to damaged sites.
Researchers used neutron crystallography to study the binding of acetazolamide to human carbonic anhydrase isoform II, gaining insights into H-bonding networks and hydrophobic interactions. This technique provides missing details that X-ray crystallography couldn't capture, enabling more effective drug design.