Articles tagged with Drug Discovery
The KEDD framework integrates structured and unstructured knowledge to enhance predictive accuracy in AI-driven drug discovery. It outperforms existing models in critical tasks, including the 'missing modality problem', by leveraging sparse attention and modality masking techniques.
Researchers develop AI-powered method to rapidly predict multiple protein configurations, understanding protein dynamics and functions. This breakthrough has the potential to revolutionize drug discovery by uncovering more targets for new treatments.
Researchers have developed a new, synthetic lung surfactant that mimics the functionality of animal-derived formulations. The surfactant has shown promise in reducing surface tension and may offer a cheaper alternative to Infasurf.
A newly developed compound is showing promise as a more effective treatment for human schistosomiasis, an understudied tropical disease caused by parasitic worms. The compound overcomes the limitations of current treatment praziquantel by being effective against the larval stage and resistant strains.
Researchers at the University of Toronto and Sinai Health have created a new platform to identify proteins that can be co-opted to control the stability of other proteins. The study identified over 600 new effector proteins that could be used therapeutically, including those that can efficiently degrade or stabilize target proteins.
Researchers at Xi'an Jiaotong-Liverpool University developed a new method that enables the efficient production of cysteine-rich peptides and microproteins in their naturally folded 3D structure. The approach uses organic solvents to mimic nature's oxidative folding process, resulting in speeds of over 100,000 times faster than aqueous...
Researchers have identified a potential path to eliminate the viral reservoir that prevents people from being completely cured of HIV. A new drug candidate, called a proteolysis targeting chimeras (PROTAC) molecule, triggers the degradation of the Nef protein, which suppresses HIV replication and restores immune system detection. This ...
Researchers have discovered compounds that can activate estrogen-related receptors (ERRs), similar to the effects of exercise on metabolism and muscle growth. The new compounds may offer a substitute for exercise in people with medical conditions, such as heart failure and neurodegenerative disease.
Researchers have identified a subset of T-cells that acts like stem cells and continuously generates effector T-cells that attack transplanted organs. Targeting the transcription factor IRF4 may lead to innovative therapies for patients with chronic infections, cancers, autoimmune diseases and transplanted organs.
Researchers used generative AI to design a lead molecule for treating fibrosis, a biological process associated with aging. The compound, INS018_055, demonstrated significant efficacy in preclinical studies and showed promising results in clinical trials, accelerating drug discovery and providing new therapeutic options.
A new study suggests that mushroom extract containing psilocybin demonstrates superior efficacy in stimulating neuroplasticity and promoting new connections between nerve cells. The research found that the extract had a more potent and prolonged impact on synaptic plasticity compared to chemically synthesized psilocybin.
Researchers at University at Buffalo propose a new approach to developing cancer drugs by determining the optimal placement of molecular linkers earlier in the process, reducing trial and error and increasing potency, according to a study published in Communications Chemistry.
A network of African scientists has secured funding to develop new drugs for malaria and TB, two major diseases affecting the continent. The Grand Challenges Africa Drug Discovery Accelerator Programme will support leading research efforts on these diseases.
Researchers at City of Hope have developed a new approach to target and destroy hard-to-kill leukemia stem cells. The therapy method uses Type II interferon to disrupt the cancer cells' ability to divide, and a T cell engager antibody to create a bridge between the immune system and the leukemia stem cells.
PandaOmics uses advanced AI algorithms to process vast quantities of diverse data, performing gene and pathway analysis and target predictions. The platform has been extensively validated in multiple therapeutic areas, including oncology, inflammation, and immunology.
Scientists from IOCB Prague have developed a universal and accurate new computational method to predict how proteins interact with drugs. The SQM2.20 scoring function yields DFT-quality predictions in minutes, significantly accelerating drug discovery.
Researchers at North Carolina State University are developing a suite of performance metrics to standardize the evaluation of self-driving labs in chemistry and materials science. These metrics aim to compare different lab technologies and identify areas for improvement, ultimately advancing the field and accelerating discovery.
A new AI tool, DeepGO-SE, successfully predicts the molecular functions of unknown proteins with high accuracy. This breakthrough enables researchers to analyze uncharacterized proteins, facilitating tasks such as drug discovery, metabolic pathway analysis, and disease associations.
A recent study has identified a promising solution to combat resistance to protein degraders, which are a novel approach in drug discovery. The researchers found that the drug RBS-10 selectively removes resistant cells by targeting the enzyme NQO1, which is overexpressed in these cells.
Insilico Medicine has discovered a novel PHD inhibitor for treating anemia using its AI-powered generative chemistry platform Chemistry42. The compound demonstrated favorable ADMET and PK profiles in animal models, showing promise for further investigations.
Researchers at Insilico Medicine have identified MYT1 as a promising therapeutic target for breast and gynecological cancers. A series of novel, potent, and highly selective inhibitors specifically targeting MYT1 were discovered using AI-driven generative biology and chemistry engine.
The CACHE Challenge series has identified seven promising molecules with potential for new, more effective drugs for familial Parkinson's disease. The open science competition, funded by The Michael J. Fox Foundation and Conscience, used AI to predict hits and validated experimental results.
Researchers developed a platform combining automated experiments with AI to predict chemical reactivity, greatly accelerating the design process for new drugs. A machine learning model predicts where molecules will react and how reaction sites vary under different conditions, enabling precise tweaks to complex molecules.
A new catalyst developed by researchers at Nagoya University successfully synthesized a key intermediate for the incontinence drug oxybutynin in 5-30 minutes, significantly faster than existing methods. The discovery represents a major advance in chiral drug synthesis and holds great promise for future drug discovery efforts.
A global study has identified over 200 genes linked to depression, including 50 new genetic loci and 205 novel genes. The research also suggests potential for drug repurposing and highlights the need for more diverse genetic datasets to develop effective treatments.
The University of Rochester is establishing a new NIH-funded center focused on developing FDA-qualified drug development tools related to barrier functions in disease. Researchers will create microphysiological systems with ultrathin membranes of human cells, aiming to reduce animal trials and improve drug efficacy.
Researchers have found a way to control MYC's hyperactivity using a peptide compound with sub-micro-molar affinity. This breakthrough offers hope for more effective treatments for cancer patients.
The Colorado Center for Personalized Medicine has hit a major milestone of returning clinical genetic results to over 30,000 patients, making it a leader in providing personalized patient care. The center is also studying pharmacogenomics and providing results to guide drug selection and dosing.
Researchers discovered new antibiotic molecules targeting Mycobacterium tuberculosis, reducing its pathogenicity. These substances also enhance the activity of conventional antibiotics like ethionamide, offering a renewed treatment approach.
A new synthetic antibiotic teixobactin has been shown to be highly effective against 'superbugs' such as MRSA and bacterial biofilms, which are associated with serious chronic infections. The study's findings provide promising hope for the development of new treatments against multidrug-resistant bacteria and biofilm-related infections.
Researchers have developed a new method to generate cyclic peptides that can target diseases and be administered orally, overcoming challenges in protein binding. The approach enables high-throughput screening and has shown substantial bioavailability in rats, opening possibilities for treating various diseases.
Researchers develop a novel protein killer and discover a new ligase for PROTACs, which can specifically target and degrade pathological proteins in specific tissues. This breakthrough could enable the targeted degradation of proteins in tumors.
Researchers at the University of Bath have created a novel bacterial system to mass-produce cyclic proteins and peptides, addressing a significant bottleneck in the development of new therapeutic treatments. By harnessing the natural cyclization process from the Oldenlandia flower, they improved heat and chemical stability, as well as ...
A Phase II clinical trial has demonstrated that fosravuconazole is effective in treating mycetoma, a chronic disabling disease. The new oral treatment has been shown to have significant advantages over existing treatments, including a lower pill burden and minimal interactions with other medications.
This special collection in SLAS Discovery highlights the significant impact of high-content imaging in basic and translational research. Researchers have made advancements in cell painting and phenotypic profiling, offering new therapeutic approaches for diseases such as Gaucher's.
A small molecule called YM022 has been discovered to block aversive memory formation in mice, offering a new direction for developing anti-depressants. The study found that YM022 suppressed neuroplasticity-caused aversive memory formation and reduced depressive behaviors in mice.
Researchers have discovered two new cofactorless oxygenases, TnmJ and TnmK2, which enable bacteria to produce compounds for targeting and breaking up DNA. This breakthrough offers a potentially easier way to study and manufacture complex natural chemicals, including those that could become medicines.
Researchers developed a waterproof device that captures and enriches dissolved compounds in seawater, revealing diverse elemental compositions and unknown molecular structures, with potential applications for drug discovery and ecosystem health monitoring.
Researchers have identified a crucial biological trigger of Huntington's disease, finding that methylation converts an important protein into waste. By targeting this process, they may develop effective therapies for other neurodegenerative diseases.
Scientists at Nagoya University developed a new gastric acid inhibitor with a binding affinity nearly 10 times higher than existing drugs. The AI-driven approach led to the creation of compound DQ-18, which exhibits stronger binding to the gastric proton pump.
New study reveals that microtubule poisons effectively treat cancer by causing abnormal cell division, leading to tumor cell death. The findings contradict decades-long assumptions about the mechanism of action of these drugs.
Cleveland Clinic is selected by Wellcome Leap to lead two quantum computing research projects in collaboration with IBM Quantum and Algorithmiq. The projects aim to accelerate the development of quantum computing applications for healthcare, with a focus on protein structure prediction and photon-drug interactions in cancer treatment.
Researchers at Scripps Research have identified promising cancer drug targets by combining precise genome engineering and protein activity profiling. They used base editing to alter thousands of possible drug targets, then integrated the data with chemical proteomic information to pinpoint hundreds of potential targets.
A special issue of SLAS Discovery magazine highlights the Virginia Drug Discovery Consortium's efforts to promote drug discovery and development in Virginia. The issue features original research, protocols, and perspectives on novel technologies and approaches for understanding and treating human disease.
Researchers developed a new technology to test new drugs against liver diseases by recreating the real human liver environment. The model consists of live liver cells in an artificial blood vessel system, allowing for controlled testing and monitoring.
Insilico Medicine has identified 9 potential dual-purpose targets against aging and 14 major age-related diseases using Microsoft BioGPT. The proposed genes include CCR5 and PTH, which have not been previously correlated to the aging process.
Researchers identified potential therapeutic targets for Alzheimer's disease and other conditions using a new approach combining AI-driven target identification with protein phase separation analysis. The study provides insights into the role of protein phase separation in human disease and its potential as a therapeutic target.
Researchers at University of California - Riverside uncover COVID's Achilles heel - its dependence on key human proteins. By understanding how the virus interacts with human cells, a new class of antiviral medication may be developed to block replication and treatment.
Researchers at Mount Sinai identified the structure of a red blood cell transporter and how it interacts with drugs. They discovered novel compounds capable of blocking the transporter, potentially leading to new treatments for conditions like hemolytic anemias.
The August 2023 issue of SLAS Technology features original research articles on nanodiamonds, automated buffer exchange, and epidermal growth factor. A new scheduling method called SAGAS is proposed to optimize life science experiments in laboratory automation.
Researchers at TUM develop an RNA agent for a lung spray that slows macrophage activity, reducing lung inflammation and fibrosis. The active substance RCS-21 is delivered via an inhaler through a special sugar molecule, showing promise in treating acute inflammatory lung damage.
A miniature human heart model, approximately half a grain of rice in size, has been developed to transform drug testing and cardiovascular research. This self-paced, multi-chambered model provides real-time measurements of essential parameters, enabling unprecedented insights into heart function and diseases.
Insilico Medicine's inClinico platform uses generative AI to predict Phase II to Phase III clinical trial success with an accuracy of 79%. The tool has been validated in various studies and can provide valuable insights for investors and biotech/pharma companies.
Researchers at Penn State have discovered a safe and efficient way to create cyclopropanes, key features in many drugs, using a previously undescribed chemical process. The new method uses visible light and common ingredients to transform alkenes into cyclopropanes with no carbene intermediate.
Researchers at Insilico Medicine discovered novel inhibitors for salt-inducible kinase 2 (SIK2), a potential target for anti-inflammation and anti-cancer therapy. The findings were published in the July 13 edition of Bioorganic & Medicinal Chemistry, demonstrating the power of Insilico's Pharma.AI platform.
Researchers at NYU College of Dentistry developed a gene therapy that regulates sodium ion channel activity to alleviate chronic pain. By targeting the specific region where CRMP2 binds to NaV1.7, they were able to reduce sodium influx and quiet down neurons, providing relief from pain in cell and animal studies.
The latest issue of SLAS Discovery features novel technologies and approaches to develop and characterize chemical and biological tools for human disease treatment. The journal reports on high-throughput screening-related research, including fluorescence polarization assay use and glycomimetics.
Researchers at Tokyo University of Science successfully synthesized tanzawaic acid B in large amounts, paving the way for new antibiotic development. The breakthrough method could lead to creation of various compounds for pharmaceuticals, including new antibiotic candidates.
The study evaluates recent research on artificial intelligence-generated molecular structures from the perspective of medicinal chemists, recommending guidelines for assessing novelty and validity. Insilico Medicine's recommendations aim to improve the process of generating and evaluating novel AI-generated drugs.
Scientists used Insilico Medicine's generative AI platform to identify actionable drug targets for cystinosis and validate them in preclinical models. The study found that hyperactive mTOR signaling drives kidney tubular cell dysfunction, making it a targetable pathway.