Articles tagged with Drug Design
The study identified amino acids crucial for ligand selectivity in two groups of receptors, β-adrenergic and D1-like dopamine receptors. By modifying these amino acids, the researchers made each receptor prefer its native ligand. The findings suggest that regions outside of the primary binding site also play a role in selectivity.
A team of researchers has uncovered a promising new target for antimalarial drug design, identifying an enzyme called aminopeptidase P from the Plasmodium falciparum parasite. The new inhibitors have been shown to bind more strongly and selectively than existing compounds, demonstrating potential as a new class of drugs to combat malaria.
The UK-led OpenBind initiative has released its first publicly available dataset and predictive AI model, accelerating the discovery of new medicines using artificial intelligence. The release showcases high-quality, standardized experimental data and a trained predictive model, enabling researchers worldwide to drive the next generati...
A multi-institutional team led by Sanford Burnham Prebys aims to develop a non-opioid pain therapeutic using lead molecule SBI-810. The effort, funded by a $3.9 million NIH grant, seeks to optimize the compound into a drug that could provide effective pain relief without addiction risks.
A research consortium has developed mini-antibodies that can reactivate mutated p53, a key tumor suppressor protein. These DARPins bind selectively to p53 mutants, restoring stability and functionality, making them potentially useful against various types of tumors.
A new Cochrane review of 17 clinical trials found that anti-amyloid Alzheimer's drugs have no significant impact on cognitive decline or dementia severity, but may increase the risk of brain swelling and bleeding. The evidence suggests that these drugs are unlikely to provide clear benefit to patients.
Researchers Dr Íris Luz Batalha and Dr Maria Shchepinova from the University of Bath have been awarded funding to test new ideas in tackling global health challenges. They will develop precision-targeted therapies for antimicrobial resistance and investigate why treatments for Type 2 diabetes don't work for everyone.
Researchers found that squalene-based adjuvants activate distinct pathways for vaccine protection and reactogenicity, including the role of IL-1β in enhancing efficacy and IL-1α in triggering local swelling. The study's findings could lead to safer vaccine design by targeting specific immune mechanisms.
Researchers have created a 3D experimental system to study the response of low-grade gliomas to drugs, providing a more realistic environment for testing treatments. The system uses organoids from pluripotent stem cells to replicate glioma development and characteristics.
Scientists at the University of Virginia Health System have developed a suite of AI-powered tools, called YuelDesign, YuelPocket and YuelBond, to transform how new drugs are created. These tools can design drug molecules tailored to fit their protein targets exactly, even accounting for protein flexibility.
Researchers have created a detailed molecular map of the thromboxane A2 receptor, which could lead to the development of safer and more effective therapies targeting this clinically important signalling system. The study reveals an unusual activation switch and provides insights into how signalling molecules interact with the receptor.
Researchers have identified a framework to characterize RNA structure-changing small molecule drugs, which could lead to the development of better treatments targeting RNA directly. The study found that molecules binding to RNA rarely affect its function, while those altering its structure have a bigger impact.
The companies are leveraging generative AI to develop innovative candidates for challenging neurological diseases, aiming to provide a broader range of therapeutic options. Insilico's Pharma.AI platform and Tenacia's expertise will continue to generate innovative solutions with strong translational potential.
Southwest Research Institute's new facility supports pharmaceutical development, bioengineering research, and streamlined clinical supply production. The facility enhances regulatory efficiency, quality systems, and communication between scientists.
Researchers have developed a low-cost fake drug detector that uses an infrared sensor to track pill dissolution rates. The device can identify legitimate medications from counterfeit ones with high accuracy, making it a valuable tool in the fight against global health threats.
A team of researchers at MSU used machine learning to predict how chemicals will influence gene expression, leading to the discovery of promising compounds for the treatment of liver cancer and a chronic lung disease. The study results from years of interdisciplinary work across multiple disciplines and institutes.
Researchers engineered Escherichia coli Nissle 1917 bacteria to produce anticancer agent Romidepsin, which was released from the bacteria and effectively targeted cancer cells in mouse models. The study establishes a solid foundation for bacteria-assisted tumor-targeted therapy, paving the way for future advancements in cancer treatment.
A new clinical trial will investigate whether adding the oral medication vorasidenib to standard chemotherapy improves progression-free survival for people with newly-diagnosed, grade 3 IDH-mutant astrocytoma. The study aims to recruit 400 individuals with this type of brain cancer and evaluate the safety and side-effect profile of the...
Researchers discovered yaku'amide B induces CD9 degradation, a cancer stem cell-related protein, in addition to inhibiting ATP synthase, leading to cellular energy depletion and cancer cell suppression. This natural compound has potential as a new therapeutic approach for cancer treatment.
The Alliance for Clinical Trials in Oncology is spotlighting new trials for colorectal cancer in March, focusing on early detection methods and treatments for treatment delays and loss of appetite. The trials aim to improve patient outcomes, with several enrolling patients with newly diagnosed colon or rectal cancer.
Researchers at Goethe University are developing non-hormonal contraceptives to address declining pill use and side effects. The PREVENT project aims to create safe and effective alternatives, focusing on small molecules that block proteins in sperm or egg cells.
A new study finds that a novel GLP-1 receptor agonist, Exendin-4-Phe (Ex-Phe-1), preserves glycemic control while reducing malaise and vomiting behaviors in preclinical models. The compound uses biased agonism to selectively activate certain signaling pathways, achieving desired effects without triggering others.
A UC Santa Barbara research team has developed a method to efficiently synthesize non-natural amino acids and apply them to peptide construction. This technique provides greater access to amino acids beyond the 22 found in nature, opening up new possibilities for biochemists, medical researchers, and materials scientists.
Researchers developed a free-to-use software tool, PSBench, to verify the accuracy of artificial intelligence-based protein structure predictions. The database includes 1.4 million annotated protein models, verified by experts, and provides reliable information for building more accurate AI systems.
Researchers investigated the binding thermodynamics of doxepin geometric isomers to the histamine H1 receptor, revealing differences in enthalpy and entropy contributions. The study highlights the importance of considering conformational constraints in designing ligands with optimized thermodynamic properties.
A new HPV cancer vaccine developed by Northwestern University scientists has shown promising results in a preclinical model. The vaccine's carefully organized structure dramatically enhances the immune system's ability to attack tumors, shrinking them and extending animal survival.
The University of Missouri has launched its first human clinical trial using Eye90 microspheres, a radiopharmaceutical breakthrough device manufactured on campus. The study aims to assess the safety and effectiveness of Eye90 in treating unresectable liver tumors, including hepatocellular carcinoma and metastatic colorectal cancer.
Researchers have developed stable boron-fluorine compounds that enable the modification of complex molecules without breaking down medicines. These new compounds make it possible to increase the effect or reduce side effects of drugs at a late stage, reducing waste and improving resource efficiency.
A Mass General Brigham study identifies new mutations that emerge in tumor cells following treatment, driving resistance in patients with different types of cancer. The researchers found two main categories of mutations: those impairing p53 function and others disrupting drug binding, highlighting a path forward for overcoming resistance.
Researchers at University Hospitals and Case Western Reserve University have discovered a novel enzyme, SCoR2, that removes nitric oxide from proteins controlling fat build-up. Inhibition of this enzyme prevents weight gain and liver injury in mouse models, also lowering bad cholesterol.
In a new study, Northwestern scientists identified a previously unknown toxic sub-species of amyloid beta oligomers that drive brain changes in Alzheimer's disease. NU-9 decreased this toxin and reduced damage in a mouse model, suggesting it could prevent or delay the cascade of toxic events that destroy neurons.
A blood test may help doctors identify which patients with colon cancer can benefit from anti-inflammatory medication and chemotherapy after surgery. The test measures circulating tumor DNA levels, and high-risk patients who test positive see improved survival rates when taking celecoxib with chemotherapy.
Insilico Medicine's Chemistry42 platform enables the efficient discovery of a potent, oral CBLB inhibitor with low toxicity risks and favorable ADME/PK profiles. The compound demonstrates strong in vitro activity and improved metabolic stability in mouse, rat, and dog models.
Researchers at Martin Luther University Halle-Wittenberg have developed a promising new substance that inhibits the ability of tuberculosis bacteria to produce energy and causes them to die. The compound, PRP020, targets the pathogen's ATP synthase but attacks a different site than existing drugs like bedaquiline.
Biomedical researchers recommend diversifying funding sources, pursuing earlier licensing and commercialization, and fostering international collaborations. The US drug discovery landscape is at risk due to federal funding cuts, and alternative approaches are needed to ensure continued progress.
Researchers at the University of Virginia Health System have developed a new treatment for acute myeloid leukemia, a deadly form of blood cancer. The FDA-approved medication works by disrupting cellular protein interactions that drive leukemia cell growth and survival, offering patients a potential cure.
The article highlights the mismatch between psychedelics and economic drug development principles. Pharmaceutical companies are developing short-acting compounds and neuroplastogens to engineer trips out of the experience altogether. Dr. Sandy Hager's research suggests investors should remain cautious due to weak intellectual property ...
Researchers have mapped the full structure of bacteriophage Bas63 using cryo-EM, revealing unique decoration proteins and a rare whisker and collar structure. The detailed structural information will enable rational phage design and engineering efforts for specificity and target regions.
The collaboration combines Insilico's Pharma.AI platforms with Lilly's expertise to discover and advance new therapies. Insilico will utilize its platform to generate candidate compounds, accelerating the development of transformative treatments for urgent patient needs.
Advanced molecular dynamics simulations model complex RNA structures with high accuracy, enabling potential applications in RNA-based therapies and drug design. The study successfully simulated the folding of diverse RNA stem loops, revealing a distinct folding pathway for challenging motifs.
A new broad-spectrum antivenom developed by DTU researchers covers 17 African snake species and provides better protection against tissue damage, with a lower risk of immune reactions. The antivenom has shown impressive results in laboratory studies and could revolutionize the treatment of venomous snakebites in Africa.
Researchers at Sanford Burnham Prebys discovered a new mechanism to confer signaling bias in predictable ways, permitting rational design of new drugs. This breakthrough could lead to better therapies for addiction and psychiatric disorders by targeting the neurotensin receptor 1 (NTSR1) with biased modulators.
Abel's projects aim to create locally specialized environments for enzymes, reducing energy consumption and increasing production efficiency in biomanufacturing processes. His lab will also develop modular metabolic reaction networks, combining components to efficiently build new biomanufacturing processes.
Researchers Joseph Clark, Doowon Kim, and Joon Sue Lee received NSF CAREER awards for their groundbreaking work in chemistry, computer science, and physics. They are developing new methods to track pharmaceutical drugs and detect phishing websites, while studying the properties of quantum materials.
Researchers at the University of Bath develop a peptide fragment that locks alpha-synuclein into its healthy shape, blocking toxic clumps that cause nerve cell death. The breakthrough demonstrates the potential of rational peptide design to transform large proteins into compact drug-like molecules.
A new RNA-based drug, RES-010, is designed to block an RNA molecule called miR-22, which plays a key role in obesity. The treatment has shown promising results in preclinical studies, inducing significant weight loss without regaining weight after treatment stops.
Scientists at the University of Cambridge created a smarter way to activate the immune system against cancer by harnessing the STING pathway. The new two-part prodrug system triggers the immune response only in tumour tissues, reducing harm to healthy cells.
A new study from Mizzou's College of Veterinary Medicine analyzed the effects of radioactive iodine therapy on thyroid cancer in dogs. The research found that tailoring the dose of radiation more precisely for each dog could improve outcomes and potentially lead to more targeted care.
Researchers have developed an immunotherapy drug STF-1623 that safely prevents cancer cells from hiding from the immune system's first responders. The drug works by inhibiting ENPP1 proteins that destroy cGAMP, allowing it to trigger a broader immune response and suppress tumor growth.
Ibezapolstat, a new antibiotic, has been shown to be effective in treating Clostridioides difficile (C. diff) infections with high rates of sustained clinical cures. The study found that ibezapolstat killed harmful bacteria without harming the good bacteria in the gut, which helps prevent recurrent C. diff infections.
A Kobe University study found that metformin reduces copper and iron levels and increases zinc levels in patients with type 2 diabetes. This suggests a possible mechanism for the drug's beneficial effects beyond lowering blood sugar levels.
Researchers at the University of Oklahoma have made a significant breakthrough in understanding the amylin hormone, which controls appetite and blood sugar. Their findings provide new tools for drug development, enabling pharmaceutical companies to target specific receptors with greater precision.
The 2025 Critical Path Institute Global Impact Conference will bring together industry, regulatory agencies, academia, and patient advocacy groups to discuss pressing challenges in drug development. The event aims to foster cross-sector collaboration to advance medical innovation and improve treatment outcomes for patients.
A new gene therapy delivery device called NANOSPRESSO could revolutionize how hospitals treat rare diseases by allowing them to create personalized nanomedicines in-house. This democratized approach to precision medicine could boost access to low-cost bespoke gene and RNA therapies, especially in low-resource settings.
UVA Health received two anonymous $25 million estate gifts to support the Paul and Diane Manning Institute of Biotechnology. The institute will develop new treatments for hard-to-treat diseases with a state-of-the-art biomedical research facility expected to drive economic growth in Central Virginia.
A new Center for Protein Design at the University of Copenhagen aims to create artificially designed proteins with tailored properties to tackle diseases, environmental issues, and industrial applications. The centre will drive fundamental research and translate basic findings into concrete solutions.
Nach01, a large language model-based foundation model, leverages structural and spatial data for diverse chemical tasks. The model is now available on AWS Marketplace, streamlining access for researchers and pharma companies to build and apply large-scale generative models.
Scientists have discovered a novel way to block an enzyme involved in regulating blood pressure, called ACE. Ciprofloxacin binds selectively to a different site, blocking angiotensin I but not inhibiting the enzyme's other functions.
A new study finds that cannabis use disorder diagnoses rose substantially across all age groups, race/ethnicity, and comorbidity subgroups nationwide from 2000 to 2022. People living with HIV experienced the greatest relative increase in CUD diagnoses, particularly among older adults.