Articles tagged with Drug Discovery
A recent study demonstrates the use of Generative Tensorial Reinforcement Learning (GENTRL) to design and validate a novel drug candidate against fibrosis and cancer. The AI process accelerated the development from 46 days, reducing the time estimate by approximately 94%.
Researchers develop algorithm that can predict complex chemical reactions and provide a 'chemical map' to desired products, reducing time in preclinical drug discovery and materials science. The model achieves high accuracy by distilling patterns of reactivity from millions of published chemical reactions.
A new AI system, Generative Tensorial Reinforcement Learning (GENTRL), was used to generate six novel inhibitors of DDR1 kinase target in just 21 days. Four compounds showed activity in biochemical assays, and one lead candidate demonstrated favorable pharmacokinetics in mice.
Patrick M. Woster, Ph.D., has been inducted into the Medicinal Chemistry Hall of Fame for his significant contributions to the field, including the discovery of novel therapeutics such as antimalarial and antibacterial agents. His work also emphasizes the crucial role of medicinal chemists in the drug discovery pipeline.
Quantifying physicochemical properties is crucial for understanding drug interactions and mechanisms. The article highlights the importance of using contemporary methods to improve subpar testing outcomes, enabling better structure-property relationships and accelerated predictive models.
Northwestern University scientists have received a $3.1 million grant to investigate drug therapies for ALS, targeting protein aggregation and upper motor neurons. Promising early results suggest compounds may have broader applications for neurodegeneration.
The study demonstrated the potential of body-on-a-chip systems to transform the drug discovery process by accurately predicting cardiotoxic mechanisms and replicating in vivo results. The findings support the use of in vitro models to evaluate temporal pharmacokinetic/pharmacodynamic relationships.
Researchers at Harvard University have synthesized sufficient quantities of the potent anti-cancer agent E7130 to enable rigorous studies of its biological activity, pharmacological properties, and efficacy. The team's achievement is a landmark in drug discovery, providing new insights into the molecule's complex mode of action and pot...
Researchers at Dartmouth College developed a new strategy for drug discovery and development, enabling the creation of targeted therapies against cancer and neurodegeneration. The technique produces potent compounds selectively toxic to glioblastoma while showing minimal harm to healthy brain cells.
The June issue of SLAS Technology introduces a new sample management collection, enabling the use of disease-relevant cells and tissues in miniaturized biology. This shift reduces drug discovery attrition by mimicking the disease state more effectively.
A leading scientist proposes five rules to tackle antibiotic resistance, including protecting new drugs and using diverse antimicrobials. The World Health Organisation warns of a post-antibiotic era, and the study aims to provide a roadmap for integrated microbial management.
Researchers have developed a method to identify potential targets for new drugs using live blood cells from patients with mental health disorders. The approach has the potential to accelerate drug discovery and personalized medicine for neuropsychiatric disorders, reducing animal testing and improving treatment outcomes.
A new digital filter approach aims to improve chemical measurements, enabling faster drug development and clinical trials. The technology, developed by Purdue University professor Garth Simpson, uses non-negative matrix factorization to analyze large data sets and remove timing artifacts.
Researchers at Tel Aviv University have discovered a homeostatic mechanism that regulates brain activity in neural circuits, paving the way for new treatments of epilepsy. A commonly used medication for multiple sclerosis may also be effective in suppressing seizures in patients with Dravet syndrome.
Researchers from Hong Kong Baptist University have invented a new method that can detect target molecules in pharmaceuticals and pesticides in just five minutes. This breakthrough could lead to the production of higher quality medicinal drugs with no side effects.
Researchers have developed a new chemical synthesis strategy, pharmacophore-directed retrosynthesis (PDR), to harvest information from natural products and identify novel, simpler derivatives. This approach may lead to selective protection of neurons and prevention of immune system rejection in organ transplants.
A new project at the Carl R. Woese Institute for Genomic Biology aims to discover a thousand new ribosomally synthesized and post-translationally modified peptides (RiPPs) using synthetic biology and automation. The project uses an automated robotic system, called iBioFAB, to identify new RiPPs and create new molecules.
DNDi and Atomwise collaborate to develop first-in-class treatments for Chagas disease using AI, delivering drug-like compounds that will undergo further optimization and potential drug development. The research aims to address a public health challenge affecting millions worldwide.
A new drug targeting brain inflammation, MW-151, is ready for its first round of human testing. The medication aims to block 'bad' inflammation that destroys neurons in Alzheimer's disease.
Researchers have discovered parameters governing drug encapsulation, giving more control over the slow release of drugs in patients. This breakthrough enables fewer trial-and-error experiments in drug design, reducing side effects and facilitating personalized therapeutic treatments.
Researchers from Peking University and Insilico Medicine are collaborating on AI-powered drug discovery methods, aiming to accelerate pharmaceutical research and development. The project will focus on various applications of AI in drug discovery, including target identification, compound generation, and personalized medicine.
Virginia Tech professor Webster Santos has received a grant to discover drugs that inhibit a small molecule transporter, which modulates the immune system and could treat multiple sclerosis. The collaboration aims to develop SPNS2 inhibitors for treating MS and metastatic cancers.
Researchers developed 13 bioluminescence sensors to measure intracellular signaling pathways and detect pharmaceutical action. The biosensors provide a complete answer, or 'signaling profile,' allowing for more accurate drug testing and development.
Researchers have developed a strategy to create new small-molecule drugs by reprogramming rapamycin. A library of 45,000 altered molecules was screened to identify a new compound, rapadocin, that inhibits cellular nucleoside uptake without toxicity. Rapadocin targets ENT1 protein and shows promise for treating kidney injury.
Researchers at EPFL developed a photoelectrocatalytic arene C-H amination method, producing pharmaceutical molecules like metaxalone and benzethonium chloride. Hematite semiconductor is used as a catalyst under visible light, offering a low-cost and energy-efficient alternative to traditional methods.
The open-science model is being expanded to neurodegenerative diseases such as Parkinson's and Amyotrophic Lateral Sclerosis. M4ND Pharma will pursue promising new genetic drug targets, sharing progress with the scientific community through regular online meetings.
A machine learning algorithm has been developed to speed up the process of discovering new medicines, identifying four new molecules that activate a protein relevant to symptoms of Alzheimer's disease and schizophrenia. The algorithm is twice as efficient as industry standards and can analyze vast amounts of chemical data.
Scientists at UCSF have developed the world's largest virtual pharmacology platform, enabling them to screen hundreds of millions of never-before-synthesized compounds for potential drugs. The platform has identified remarkably potent antibacterial and psychiatric drug candidates.
Scientists have created an 'unclonable' tag that can never be replicated, using physical unclonable functions (PUFs) with microparticles forming random patterns. The system correctly identified 76% of the tags, with estimated 2.5 x 10^120 unique codes.
Researchers identified a new process capable of generating antibiotic resistance in bacteria up to 600 million years ago. The discovery highlights the need for combined multidrug treatments and reduced agricultural use of antibacterials.
A University of Illinois team has created a synthetic manganese catalyst that can oxidize aliphatic scaffolds in the presence of aromatics, enabling chemists to produce new drugs from old ones. The discovery could expedite the drug discovery process and identify metabolites without requiring new syntheses.
USC scientists have made groundbreaking discoveries about a tick-borne virus, including its molecular mechanisms and potential therapeutic targets. The research could lead to the development of medications and a vaccine to prevent or treat hemorrhagic fever.
Researchers at Purdue University have discovered two peptides that selectively activate beneficial cellular pathways without causing unwanted side effects. These peptides are being investigated in preclinical studies for their ability to regulate dietary intake and have shown promising results.
Kinetoplastid and apicomplexan parasites are targeted by inhibiting thymidylate biosynthesis, leading to decreased dTTP levels and cell death. Novel inhibitors with anti-parasitic activity have been identified in the review.
The article discusses how reperfusion injury amplifies cell damage after tissue perfusion. Calcium handling mechanisms, including Ca2+ ion elevation, predispose patients to mitochondrial failure, hyper-contracture, and proteolysis.
A study by the University of São Paulo's Biomedical Science Institute shows that sofosbuvir can eliminate both chikungunya and yellow fever viruses without damaging human cells. This finding has significant implications for public health, particularly in Brazil where a chikungunya epidemic is forecasted.
A new study assesses the reliability of CETSA HT for early drug discovery, demonstrating good correlations with other assay formats. The technology highlights different compound responses, providing a better understanding of cellular effects.
Researchers found that metformin and syrosingopine combination blocks critical energy production step, driving cancer cells to death. The duo targets NAD+ regeneration, preventing lactate export and leading to cell demise.
Researchers at Weizmann Institute of Science have revealed a previously unknown mechanism underlying anxiety. Targeting this biochemical pathway may help develop new therapies for alleviating the symptoms of anxiety disorders.
Ruiwen Zhang, a University of Houston College of Pharmacy scientist, has been recognized as a leader in cancer prevention and treatment drug discovery and development. He has made major contributions to the discovery of cancer pharmacogenetic/pharmacogenomic syndrome and developed novel gene silencing technologies.
A comprehensive review highlights novel approaches to slow or prevent Alzheimer's disease, focusing on the effects of aging on the brain. Combination therapy is deemed necessary for better treatment outcomes, similar to other major diseases.
A new research developed a platform to predict compounds with clinical potential for treating brain diseases. The platform uses machine learning and whole-brain activity imaging to identify drugs with higher therapeutic and clinical translation potential, accelerating the drug development process.
A recent paper by Insilico Medicine introduces deep learning for aging research, revealing age as a key biological feature that can be predicted using various data types. The study also outlines the potential applications of this technology, including personalized immunotherapies and vaccinations.
Researchers use cryo-electron microscopy to capture detailed snapshots of the TFIID molecule's dynamic structure as it interacts with DNA. The high-resolution images reveal new insights into the molecular mechanism and provide opportunities for developing drugs that target its structural changes.
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 UCI School of Medicine have discovered the molecular basis for therapeutic actions of an African folk medicine used to treat various illnesses, including diabetes and epilepsy. The study found two components of the Mallotus leaf extract bind to a previously unrecognized binding site on KCNQ1 potassium channels.
A multidisciplinary research team has provided fundamental new insight into the mechanism of dimethyl fumarate, a medical drug used to treat multiple sclerosis and psoriasis. The results describe an allosteric covalent inhibition of p90 ribosomal S6 kinases, pointing to an effective mechanism of kinase inhibition.
Researchers at Kanazawa University have identified three new compounds from the leaves of a threatened tropical plant species with potent antiproliferative activities against various human tumor cell lines. The study highlights the potential of rainforest plants as a rich source of bioactive natural products for cancer drug discovery.
Researchers at University of Montreal discovered how metformin affects cell glucose uptake and metabolism, revealing a link to iron distribution. This finding may explain metformin's potential benefits beyond diabetes treatment, including prevention of chronic diseases like cancer.
Purdue researchers, including Nobel Prize winner Ei-ichi Negishi, developed a new chemical process to synthesize drug-like molecules with ultra-high purity. The technology produces high yields and has a broad scope for use among boron-based drugs.
The special issue brings together contributions from top academics and industry experts, highlighting the use of generative chemistry and GANs for de-novo molecular design. Experimental validation of generated molecules demonstrates high activity and selectivity in a novel inhibitor of Janus Kinase 3.
Researchers found a new mechanism involving KCNB1 potassium channels that builds up toxins in brains affected by Alzheimer's disease. The build-up is caused by oxidation and can also contribute to other conditions such as traumatic brain injury.
Researchers at OHSU have discovered the three-dimensional structure of a membrane channel critical in controlling blood pressure. The breakthrough provides a starting point for developing better treatments for diseases associated with this channel, including severe hypertension and heart failure.
Researchers at GC/CUNY have made a major breakthrough in controlling the 3D structure of molecules, enabling the rapid modification of molecular structures used in drug discovery. This new process offers tremendous promise for developing novel drug molecules with medicinal or industrial applications.
The research collaboration aims to create human organs-on-chips using miniature devices that mimic specific tissues and organs. These organs-on-chips have the potential to predict drug activity and toxicity more accurately than animal models.
Researchers at Sanford Burnham Prebys Medical Discovery Institute have found that amodiaquine suppresses blood vessel formation through both the apelin and VEGF pathways, reversing vascular eye damage in animal models. The compound blocks the receptor's function by binding to a unique area, inhibiting apelin's ability to drive blood ve...
Researchers at Insilico Medicine developed an Entangled Conditional Adversarial Autoencoder (ECAAE) that generates molecular structures based on various properties. The generated molecule demonstrated high activity and selectivity against a specific protein, laying the foundation for AI-powered drug discovery.
Pharmaceutical companies are adopting improved safety screening strategies to enhance the drug discovery process, including integrated screening paradigms and computational methods. These approaches aim to identify higher-quality drug candidates and mitigate off-target toxicity.
Researchers at UTSA made a groundbreaking discovery involving the regulation of thiols in mammals. The study found that human bodies may be capable of breaking fluorine-carbon bonds in drugs, opening new possibilities for pharmaceutical treatments.
Researchers have crystallized serotonin receptors bound to several compounds, revealing why some drugs cause severe side effects while others do not. The study provides valuable insight into the receptor's structure and binding mechanisms, enabling drug developers to create safer and more effective medications.