Articles tagged with Drug Design
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 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.
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.
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.
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...
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.
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.
A phase 2 clinical trial suggests that intravenous glyburide treatment may improve patient outcomes after a major stroke by reducing brain injury and death. The study found a significant reduction in brain imaging measures of midline shift, as well as lower levels of MMP-9, a biomarker associated with brain swelling.
Researchers have discovered a new group of compounds that could treat pulmonary hypertension by altering vessel stiffness and its downstream control of metabolism. The findings, published in the Journal of Clinical Investigation, highlight the use of these drugs to target the molecular origins of the disease.
A novel probe created by Washington State University researchers illuminates hydrogen sulfide and hydrogen polysulfides in different colors, enabling the identification of their roles in biological processes. This breakthrough could lead to the design of new drugs and treatments for diseases such as Alzheimer's, cancer, and diabetes.
A team of Penn researchers has created a computer model that accounts for thermal fluctuations and surface undulation, enabling more accurate targeting of cancer cells. The new model can aid in custom designing nanocarriers with specific molecules for personalized medicine.
Researchers have discovered how new HIV drugs work by locking the immature form of the virus in place, preventing it from maturing and infecting other cells. The study provides insights into the workings of these drugs and their resistance to mutations.
Researchers have identified the key cellular mechanism behind antipsychotic-induced parkinsonism, which includes involuntary movements and tremors. By targeting dopamine D2 receptor blockade in specialized neurons, a new approach to designing novel antipsychotics without side effects may be possible.
A UK drug was licensed for alcohol treatment despite weak evidence, a new study found. Nalmefene's effectiveness in reducing drinking in patients dependent on alcohol is uncertain due to flawed trials.
A microscopic parasite causes blindness, birth defects, and severe health consequences in hundreds of millions worldwide. Dr. Zhicheng Dou aims to develop a 100% cure for the disease by designing drugs that starve the parasite from host cells.
A consensus report from the International Osteoporosis Foundation Fracture Working Group recommends that patients with recent fractures should start osteoporosis medications as soon as possible. The panel agreed that anabolic agents like teriparatide may have a beneficial effect on fracture healing, while bisphosphonates may delay it.
A team at the Wyss Institute for Biologically Inspired Engineering developed a novel strategy for engineering protein fusions to improve in vivo efficacy and safety. The approach enabled the creation of cell-targeted drugs that reduce potential side effects and accelerate new drug development.
A new study suggests that an eslicarbazepine acetate taken once a day may control seizures in people with partial seizures as well as carbamazepine taken twice daily. The six-month study showed that 71% of those taking eslicarbazepine were seizure-free, compared to 76% of those taking carbamazepine.
Researchers have developed a highly-sensitive detection method to monitor HDL kinetics, revealing new lipid biology and potential therapeutic targets. The technique allows for the identification of HDL subfractions and their unique proteomes, which may help pharmaceutical companies design more effective drugs.
Zolav®, a new antibiotic, shows promising results in treating acne by significantly reducing infection and redness. The treatment offers a low-risk alternative to current standard care, which includes isotretinoin with potential side effects.
Scientists at the University of Copenhagen have discovered a previously unknown weakness in bacteria, known as an 'Achilles heel', which is a proton leak state. This discovery may lead to the development of novel antibiotics by targeting this safety valve in bacterial energy metabolism.
4th-year student Jennifer C. Miller co-authored an article with professor Inder Sehgal on a veterinary pharmacy course at Marshall University. The study found that the course effectively educated students about pet therapeutics and built enthusiasm for veterinary pharmacotherapy in pharmacy programs across the nation.