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A multi-objective optimization algorithm incorporating the strategies of dynamic semi-parameter adaptation updating, gradient enhancement, and population size reduction is adopted to solve the problem of protein-ligand docking. ABSTRACT Molecular docking, which simulates the binding pose of a drug molecule to target proteins and predicts the binding affinity, is an important computational tool in structure-based drug discovery.
Lszl Petri, Ronen Gabizon, Gyrgy G. Ferenczy, Nikolett Pczka, Attila Egyed, Pter brnyi-Balogh, Tams Takcs, and Gyrgy M. Keser Journal of Medicinal Chemistry 2025 68 (6), 6616-6632 DOI: 10.1021/acs.jmedchem.5c00017 Labeling proteins with covalent ligands is finding increasing use in proteomics applications, including identifying nucleophilic residues amenable for labeling and in the development of targeted covalent inhibitors (TCIs).
Suzetrigine CAS 2649467-58-1 Weight Average: 473.4 Monoisotopic: 473.137396951 Chemical Formula C 21 H 20 F 5 N 3 O 4 FDA 1/30/2025, Journavx To treat moderate to severe acute pain Press Release 2-Pyridinecarboxamide, 4-[[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]- 4-[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5- dimethyl-5-(trifluoromethyl)oxolane-2- carboxamido]pyridine-2-carboxamide 4-[(2R,3S,4S,5R)-3-(3,4-difluor
Introduction Logging is an essential part of application development, especially in cloud environments where monitoring and debugging are crucial. In Azure Functions, there is no built-in provision to log application-level details into a centralized database, making it challenging to check logs every time in the Azure portal. This blog focuses on integrating NLog into Azure Functions to store all logs in a single database (Cosmos DB) , ensuring a unified logging approach for better monitoring an
Speaker: Simran Kaur, Co-founder & CEO at Tattva.Health
AI is transforming clinical trials—accelerating drug discovery, optimizing patient recruitment, and improving data analysis. But its impact goes far beyond research. As AI-driven innovation reshapes the clinical trial process, it’s also influencing broader healthcare trends, from personalized medicine to patient outcomes. Join this new webinar featuring Simran Kaur for an insightful discussion on what all of this means for the future of healthcare!
Smaller than a grain of rice, new pacemaker is particularly suited to the small, fragile hearts of newborn babies with congenital heart defects. Tiny pacemaker is paired with a small, soft, flexible wearable patch that sits on the patient's chest. The wearable patch detects irregular heartbeats and automatically emits pulses of light. The light then flashes on and off at a rate that corresponds to the correct pacing.
The Game-Changing Potential of Biosimilars in Population Health Management As healthcare professionals, we're constantly looking for innovative ways to improve patient outcomes and reduce costs. One area that's gaining significant attention is the use of biosimilars in population health management initiatives. But what exactly are biosimilars, and how can they make a meaningful impact on population health?
This week, Im rerunning some popular posts while I prepare for Fridays live video webinar: PBM Industry Update: Trends, Challenges, and Whats Ahead. Click here to see the original post from December 2024. Its time to pay attention to the money behind the 340B curtain. Minnesota just released the industrys first ever mandated financial report on the 340B Drug Pricing Program.
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Drug Discovery Digest brings together the best content for drug research and development professionals from the widest variety of industry thought leaders.
This week, Im rerunning some popular posts while I prepare for Fridays live video webinar: PBM Industry Update: Trends, Challenges, and Whats Ahead. Click here to see the original post from December 2024. Its time to pay attention to the money behind the 340B curtain. Minnesota just released the industrys first ever mandated financial report on the 340B Drug Pricing Program.
The Future of Biopharma Intelligence: Why Direct Data Platforms are Revolutionizing the Industry As a biopharma professional, you're likely no stranger to the challenges of staying ahead in a rapidly evolving market. From navigating complex regulatory landscapes to keeping pace with the latest scientific breakthroughs, it's easy to get overwhelmed by the sheer volume of information at your fingertips.
In the new episode of the “What If? So What?” podcast, Jim Hertzfeld and Deena Piquion, chief growth and disruption officer at Xerox , discuss how disruption and digital transformation can position companies to succeed in a rapidly changing technology landscape. Deena is leading Xerox on a unique and pivotal reinvention journey as the company undergoes a significant transformation, expanding beyond its traditional print and copy services.
A new analysis of a vaccination program in Wales found that the shingles vaccine appeared to lower new dementia diagnoses by 20% -- more than any other known intervention.
TUESDAY, April 2, 2025 -- The shingles vaccine can do more than protect seniors from painful, blistering rashes. It also appears to protect older folks from dementia, researchers say. Seniors who got the shingles vaccine when it became available.
Speaker: Simran Kaur, Founder & CEO at Tattva Health Inc.
The healthcare landscape is being revolutionized by AI and cutting-edge digital technologies, reshaping how patients receive care and interact with providers. In this webinar led by Simran Kaur, we will explore how AI-driven solutions are enhancing patient communication, improving care quality, and empowering preventive and predictive medicine. You'll also learn how AI is streamlining healthcare processes, helping providers offer more efficient, personalized care and enabling faster, data-driven
WEDNESDAY, April 2, 2025 -- The inability to pay for health care has reached a new high in the United States, a new study says.More than one-third of Americans an estimated 91 million people say they couldn't afford to access quality health car.
A new study has found that the world's finest yodellers aren't from Austria or Switzerland, but the rainforests of Latin America. The research provides significant new insights into the diverse vocal sounds of non-human primates, and reveals for the first time how certain calls are produced. The researchers have discovered that special anatomical structures called vocal membranes allow monkeys to introduce 'voice breaks' to their calls.
WEDNESDAY, April 2, 2025 -- The U.S. Food and Drug Administration has approved Qfitlia (fitusiran) for routine prophylaxis to prevent or reduce the frequency of bleeding episodes in adult and pediatric patients 12 years of age and older with.
Clinical trial data management is increasingly challenging as studies grow in complexity. Quickly accessing and analyzing study data is vital for assessing trial progress and patient safety. In this paper, we explore real-time data access and analysis for proactive study management. We investigate using adverse event (AE) data to monitor safety and discuss a clinical analytics platform that supports collaboration and data review workflows.
In new images, scientists have gotten the closest look yet at Sagittarius C -- a 'stellar nursery' where clouds of gas and dust have collapsed to form thousands of new stars.
WEDNESDAY, April 2, 2025 -- Insomnia and vertigo are health conditions so well-known that movies have been named after them.But only a quarter of Americans know about a condition that occurs even more often than vertigo or insomnia, called.
Researchers interrogated the 'sounds' of a cluster of stars within the Milky Way, uncovering a new technique for astrophysicists to probe the universe and learn more about its evolution.
WEDNESDAY, April 2, 2025 -- The U.S. Food and Drug Administration’s (FDA) top tobacco regulator, Brian King, has been placed on leave as part of a large wave of cuts across federal health agencies. King, who led the FDA's tobacco control.
Clinical research has entered a new era, one that requires real-time analytics and visualization to allow trial leaders to work collaboratively and to develop, at the click of a mouse, deep insights that enable proactive study management. Learn how Revvity Signals helps drug developers deliver clinical trial data insights in real-time using a fast and flexible data and analytics platform to empower data-driven decision-making.
Jurassic dinosaurs milled about ancient Scottish lagoons, leaving up to 131 footprints at a newly discovered stomping ground on the Isle of Skye in Scotland, according to a new study.
WEDNESDAY, April 2, 2025 -- Lower levels of bad LDL cholesterol could mean a lower risk of dementia and Alzheimers disease, a new study says.People with low-density lipoprotein (LDL) cholesterol levels lower than 70 mg/dl had a 26% lower risk of.
Researchers have demonstrated how specific biomarkers in the blood can predict the development of dementia up to ten years before diagnosis, among older adults living independently in the community.
The European Commission has referred Eisai and Biogen’s application to an appeals committee. Elsewhere, Opthea warned of insolvency and Novartis hired a new top lawyer.
Clinical development organizations face a wide array of challenges when it comes to data, many of which can impact the operational effectiveness of their clinical trials. In this whitepaper, experts from Revvity Signals explore how solutions like TIBCO® Spotfire® enable better, more streamlined studies. The whitepaper also features a success story from Ambrx, a leading biopharmaceutical company, detailing how it has leveraged Spotfire to tackle data quality and collaboration challenges in clinic
Scientists have repurposed smartphone camera sensors to create a detector capable of tracking antiproton annihilations in real time with unprecedented resolution. This new device can pinpoint antiproton annihilations with a resolution of about 0.6 micrometers, a 35-fold improvement over previous real-time methods.
A newly published study found that a mother's exposure to phthalates during pregnancy can affect their newborn's metabolism and brain development. These widely used plasticizers are commonly found in a variety of cosmetics and personal care products, such as shampoos, soaps, and detergents, as well as plastic food and beverage containers.
WEDNESDAY, April 2, 2025 -- They say the eyes are the windows to the soul.The eyes also might help detect seniors at risk for a common syndrome in which they emerge from surgery in a state of delirium, new research suggests.Seniors who have thicker.
People living in Bronze Age-era Denmark may have been able to travel to Norway directly over the open sea, according to a new study. To complete this study, the research team developed a new computer modeling tool that could help other scientists better understand how ancient peoples traversed the sea.
An international team is currently closely tracking the near-Earth asteroid 2024 YR4. The impact probability estimates for the year 2032 has been reduced from a peak of 3 percent to below 0.001 percent.
WEDNESDAY, April 2, 2025 -- The telehealth company Hims & Hers Health is expanding its weight-loss offerings by adding new medications to its platform.The company said Tuesday it now provides access to Zepbound, a brand-name version of the drug.
ABSTRACT Diketopiperazines (DKPs) have emerged as promising candidates for treating diverse diseases, particularly cancer. In this context, 2,5-diketopiperazines have been extensively investigated in comparison with 2,6-diketopiperazines. This work explores the selectivity and impact of 2,6-diketopiperazine enantiomers derived from -amino acids on MDA-MB-231 triple-negative breast cancer cells (TNBC).
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