Articles tagged with Drug Design
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.
A new generation of anti-cancer drugs is being designed with an agent to inhibit resistance to their effectiveness. The research identified a specific mechanism to target drug pumps in cancer cells, leading to more effective treatment options. This breakthrough could improve outcomes for patients with therapy-resistant cancers.
Researchers have developed a computer program that predicts pharmaceutical side effects, outperforming earlier software in accuracy. The system assesses drug molecules and identifies potential side effects using an ensemble approach, demonstrating its effectiveness in flagging adverse reactions.
Researchers have identified the three-dimensional structure of a hantavirus protein, providing a promising model for developing drugs against the disease. The protein's circular complexes may play a role in inhibiting viral growth, making it an ideal target for future treatments.
Dr. Heidi M. Mansour investigates and designs innovative treatments, including new drugs and advanced delivery mechanisms, to treat unmet medical needs in lung diseases such as COPD, asthma, and cystic fibrosis. Her goal is to see these dry powder inhalers end up on pharmacy shelves, helping patients live better lives.
Researchers have provided a molecular blueprint of Globomycin, an antibacterial candidate with promise in stemming the post-antibiotic tide. The blueprint may aid the design of better globomycin analogues and explore thousands of new antibiotic solutions to common infections.
Researchers develop vaccine to prevent fentanyl overdose and addiction by targeting its molecular structure, which can be tailored to neutralize various variants of the drug. Successful preclinical tests show the vaccine protects against lethal doses of fentanyl, providing new hope in combating the opioid crisis.
A team from the University of Leicester has published a detailed description of the protein Sam68 linked to many types of cancer. The high-resolution structure provides an opportunity for scientists to develop drugs targeting this protein.
Researchers developed a novel liquid salt formulation of propranolol for transdermal delivery, reducing skin toxicity. The formulation uses counter ions to shield drug charge, increasing therapeutic efficacy while minimizing side effects.
SLU scientist John Tavis has received a $2.2 million NIH grant to develop a cure for the hepatitis B virus. His team aims to create a combination therapy that can kill the virus, which causes chronic infection and liver damage in millions of people worldwide.
Researchers used designer neural receptors to suppress cravings in rats by activating a specific brain region. The study's findings may help scientists develop new treatments for addiction and overeating by stripping away value from reward-paired cues.
Researchers have developed a computational method to predict protein dynamics based on co-evolutionary studies, which explains changes in shape or structure to interact with other compounds. This study is crucial for designing drugs and researching genetic diseases like cancer, resulting in higher complexity than current methods.
The COMPASS method uses a combination of molecular spectroscopy techniques, predictive protein-folding algorithms, and image recognition software to determine a protein's likely structure. The approach has been successfully applied to 15 proteins and holds promise for studying complex protein structures that have eluded researchers.
Researchers identify Sestrin2 as a highly specific leucine sensor that activates the mTORC1 pathway upon binding, promoting cell growth. The discovery suggests potential therapeutic applications for treating diseases such as aging, muscle atrophy, and insulin-related disorders.
Researchers at the University of Pennsylvania School of Medicine identified a previously unknown genomic landscape in Sezary syndrome, a rare and aggressive leukemia. The study reveals recurrent loss-of-function mutations in genes regulating epigenetic pathways, including ARID1A, which occurred in over 40% of the genome studied.
A new chemical process developed by WPI's Marion Emmert may significantly improve pharmaceuticals' ability to bind with biological targets, producing therapeutic effects. The team aims to streamline production of existing drugs like Asacol, shortening its manufacturing time.
Researchers uncover structural details of how proteins interact to turn two signals into one, enabling fine-tuning of signal and drug action. The study provides crucial insights into nuclear receptor communication, paving the way for improved drug design.
Researchers found that activating Nurr1, a class of proteins in the brain, protects dopamine neurons and improves motor control. The study suggests that existing anti-malaria drugs could be repurposed to treat Parkinson's disease.
New research finds that equipping law enforcement officers with naloxone does not raise their risk of legal liability. The study concludes that officers should be authorized to administer naloxone to reduce opioid-related deaths and increase overdose rescue times.
UC Davis researchers identified molecular interactions between capsaicin and the TRPV1 receptor, paving the way for more selective and effective pain relief drugs. The study found that sweet peppers contain a compound called capsiate, which is almost identical to capsaicin but differs at one key interaction site.
Scientists at the University of Eastern Finland have identified two separate sites on the protein NOS1AP that can be blocked to reduce damaging signals caused by NOS-1 in brain cells. This breakthrough could lead to the development of new drugs for neurological diseases such as stroke, chronic pain, depression, and anxiety disorders.
Tel Aviv University researchers have engineered membranes that can crystallize at a specific time, revolutionizing drug delivery. The breakthrough enables the precise and effective release of drugs at targeted biological locations in the body.
A new x-ray study reveals how a hypertension drug binds to a cellular receptor, providing valuable insights for designing more effective medications. The research could lead to the development of targeted drugs with fewer side effects.
Researchers at Penn Medicine have discovered a new class of receptors that ketamine binds to, which may underlie its diverse effects. This finding opens the door for designing drugs that interact specifically with these receptors, potentially leading to more targeted treatments.
A study published in the Journal of Patient Safety found that redesigned IV medication labels can significantly reduce the risk of medication errors in the operating room. The research used simulated surgical emergency scenarios and showed a higher correct selection rate with redesigned labels compared to standard labels.
Abl and Src proteins have distinct evolutionary paths, allowing Brandeis researchers to pinpoint specificity for Gleevec. Their findings pave the way for rational drug design in various cancers.
The Dartmouth team created a systematic testing platform to analyze deimmunized protein design space. Their analysis revealed that experimentally measured molecular fitness mapped closely onto the computational design space for 18 deimmunized drug candidates, demonstrating potential to predict and design tradeoffs between immunogenicit...
A review on Urotensin II has shown its ability to modulate biologic activities in the cardiovascular system, kidneys, and central nervous system. The peptide can constrict and dilate blood vessels, making it a promising candidate for treating various cardiovascular diseases.
A team of researchers at Georgia State University has made groundbreaking discoveries in the tryptophan kynurenine pathway, a metabolic pathway linked to psychiatric and neurodegenerative disorders. The study reveals an unexpected enzymatic activity that could lead to new drug design for these diseases.
Duke University researchers develop software to predict genetic changes in bacteria that will allow it to evade new experimental drugs. The team successfully identified four mutations that would confer resistance, with over half of surviving colonies carrying the predicted mutation.
Researchers developed a predictive model associating chemical fragments with positive or negative effects in 20% of human diseases. The analysis of 10,000 chemical molecules revealed new knowledge on safer drug design and potential uses for current drugs.
Researchers have discovered that blocking blood-brain barrier proteins increases riluzole's effectiveness in treating ALS. The study found improved muscle function and prolonged survival in mice with blocked barriers.
A study found that pharmaceutical companies failed to comply with FDA recommendations for pivotal drug study design and primary outcomes in nearly a quarter of cases. The researchers suggested that mandatory FDA review of pivotal trial protocols could optimize study quality.
Researchers have developed a computational model to design fusion proteins that target cancer cells while minimizing harm to healthy cells. The model predicts the behavior of these proteins and can help identify promising candidates for drug testing.
A new computational model helps researchers rationally design and select protein molecules to create effective biologic drug therapies with reduced side effects. The model reveals that the length of a DNA linker influences how well fusion protein components attach to their intended receptors.