March, 2025

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Drug Discovery Informatics for Big Pharma: Key Webinar Insights

Collaborative Drug

The pharmaceutical R&D landscape continues to evolve rapidly with advances in computational technologies and artificial intelligence. Our recent Q1 2025 scientific webinar brought together industry veterans Dr. Chris Waller and Dr. Dimitris Agrafiotis to discuss the current state and future directions of drug discovery informatics in large pharmaceutical organizations led by CDD's Founder and CEO, Dr.

Drugs 255
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Healthy eating in midlife linked to overall healthy aging

Science Daily: Pharmacology News

Maintaining a healthy diet rich in plant-based foods, with low to moderate intake of healthy animal-based foods and lower intake of ultra-processed foods, was linked to a higher likelihood of healthy aging -- defined as reaching age 70 free of major chronic diseases and with cognitive, physical, and mental health maintained, according to a new study.

Disease 323
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State-of-the-art covalent virtual screening with AlphaFold3

Covalent Modifiers

Yoav Shamir, Nir London bioRxiv 2025.03.19.642201; doi: [link] Recent years have seen an explosion in the prominence of covalent inhibitors as research and therapeutic tools. However, a lag in application of computational methods for covalent docking slows progress in this field. AI models such as AlphaFold3 have shown accuracy in ligand pose prediction but were never assessed for virtual screening.

Research 130
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Duchenne patient dies after receiving Sarepta gene therapy

BioPharma Drive: Drug Pricing

A young man treated with Elevidys died of acute liver failure. The case may give doctors pause before prescribing the treatment in the future, some analysts wrote.

Therapies 356
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Bridging Innovation & Patient Care: The Growing Role of AI

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!

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Paxlovid May Offer Little Benefit for Vaccinated Older Adults

Drugs.com

THURSDAY, March 6, 2025 -- The antiviral drug Paxlovid may not offer much protection against COVID-related hospitalizations or deaths for vaccinated older adults after all. Research published recently in JAMA Network Open looked at data from more.

Vaccine 343

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The Nature of Nanodisc Lipids Influences Fragment‐Based Drug Discovery Results

Chemical Biology and Drug Design

Fragment-based drug discovery (FBDD) was applied to cytochrome P450 3A4 reconstituted in Nanodiscs (NDs) with various lipid compositions. The choice of ND lipid influenced drug membrane interactions and fragment hit rates, demonstrating the critical role of the membrane environment in fragment screening for membrane proteins. ABSTRACT Membrane proteins (MPs) are important yet challenging targets for drug discovery.

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Novel stem cell therapy repairs 'irreversible' corneal damage in clinical trial

Science Daily: Pharmacology News

Results from a phase 1/2 clinical trial of a novel stem cell treatment for cornea injuries found 14 patients treated and tracked for 18 months had a more than 90% success rate at restoring the cornea's surface and improvements in vision. The procedure, called CALEC (cultivated autologous limbal epithelial cells) involves taking stem cells from a healthy eye, expanding it into a graft over several weeks, then transplanting it into a patient's damaged eye.

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Methods for Kinetic Evaluation of Reversible Covalent Inhibitors from Time-Dependent IC50 Data

Covalent Modifiers

L. Mader and J. W. Keillor, RSC Med. Chem., 2025 DOI: 10.1039/D5MD00050E Potent reversible covalent inhibitors are often slow in establishing their covalent modification equilibrium, resulting in time-dependent inhibition. While these inhibitors are commonly assessed using IC50 values, there are no methods available to analyze their time-dependent IC50 data to provide their inhibition (Kiand Ki*) and covalent modification rate (k5and k6) constants, leading to difficulty in accurately ranking dru

Drugs 130
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Merck opens $1B vaccine plant in North Carolina

BioPharma Drive: Drug Pricing

Unveiling of the new factory comes as Merck and other pharma companies face pressure to reshore manufacturing back to the U.S.

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From Diagnosis to Delivery: How AI is Revolutionizing the Patient Experience

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

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More Type 1 Diabetics Are Obese, Taking GLP-1 Drugs

Drugs.com

MONDAY, March 31, 2025 -- Use of cutting-edge weight-loss drugs like Ozempic and Zepbound has increased dramatically among people with type 1 diabetes, raising safety concerns among experts, a new study says.Both adults and children with type 1.

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CDD Vault Update (March #2 2025):  Macromolecule Atomistic Rendering, AI Datasets, Import Inventory Locations, Larger Inventory Boxes, Dark Mode

Collaborative Drug

CDD Update March #2 2025 Full Atom Layout of Macromolecules New Dataset for AI Similarity Searching Import Inventory Locations by Unique Box Names:

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Non‐Hydroxamate Inhibitors of IspC Enzyme in the MEP Pathway: Structural Insights and Drug Development Potential

Chemical Biology and Drug Design

The review provides a comprehensive analysis of non-hydroxamate inhibitors for IspC, an enzyme crucial in the MEP pathway, highlighting its structural diversity and improved drug development potential. It details the design strategies for lipophilic and bisubstrate non-hydroxamate inhibitors, emphasizing their enhanced metal-ion coordination and increased inhibitory potency against IspC.

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Scientists discover how aspirin could prevent some cancers from spreading

Science Daily: Pharmacology News

Scientists have uncovered the mechanism behind how aspirin could reduce the metastasis of some cancers by stimulating the immune system. The scientists say that discovering the mechanism will support ongoing clinical trials, and could lead to the targeted use of aspirin to prevent the spread of susceptible types of cancer, and to the development of more effective drugs to prevent cancer metastasis.

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How Machine Learning Drives Clinical Trial Efficiency

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.

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Design of Benzyl-triazolopyrimidine-Based NADPH Oxidase Inhibitors Leads to the Discovery of a Potent Dual Covalent NOX2/MAOB Inhibitor

Covalent Modifiers

Beatrice Noce, Sara Marchese, Marta Massari, Chiara Lambona, Joana Reis, Francesco Fiorentino, Alessia Raucci, Rossella Fioravanti, Mariana Castela, Alessandro Mormino, Stefano Garofalo, Cristina Limatola, Lorenzo Basile, Andrea Gottinger, Claudia Binda, Andrea Mattevi, Antonello Mai, and Sergio Valente Journal of Medicinal Chemistry 2025 DOI: 10.1021/acs.jmedchem.4c02644 NADPH oxidases (NOXs) are enzymes dedicated to reactive oxygen species (ROS) production and are implicated in cancer, neuroin

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HHS to cut 10,000 staff in major restructuring under RFK Jr.

BioPharma Drive: Drug Pricing

The FDA will lose about 3,500 employees under the plans, although HHS said drug, medical device and food reviewers will not be affected.

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Measles Outbreak Leads to Dangerous Vitamin A Toxicity

Drugs.com

FRIDAY, March 28, 2025 -- As a measles outbreak spreads across U.S., doctors are now seeing a new and unexpected danger: Children getting sick from taking too much vitamin A.At Covenant Childrens Hospital in Lubbock, Texas, several unvaccinated c.

Doctors 279
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New technology puts a spatial lens on CRISPR screening

Broad Institute

New technology puts a spatial lens on CRISPR screening By Leah Eisenstadt March 12, 2025 Breadcrumb Home New technology puts a spatial lens on CRISPR screening Perturb-FISH reveals impacts of perturbations on gene expression and phenotype with single-cell, spatial resolution, allowing study of effects within and between cells. By Leah Eisenstadt March 12, 2025 Credit: Broad Communications Scientists in the Spatial Technology Platform at the Broad develop, use, and share spatial -omics approaches

RNA 99
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Deliver Fast, Flexible Clinical Trial Insights with Spotfire

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.

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Identification of Potent Leucine‐Rich Repeat Kinase 2 Inhibitors by Virtual Screening and Biological Evaluation

Chemical Biology and Drug Design

We reported a virtual screening workflow combining docking and MD simulations to achieve eight compounds for further enzymatic assay and ADMET profile prediction. The results indicated a candidate 2 with IC 50 values of 2.396 and 5.996M against LRRK2 and LRRK2 G2019S, respectively, implying the reliability of this approach. ABSTRACT Parkinson's disease (PD) is the second most common neurodegenerative disease but has limited medications.

Treatment 100
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Heat from the sun affects seismic activity on Earth

Science Daily: Pharmacology News

Researchers explore the likelihood that Earth's climate, as affected by solar heat, plays a role in seismic activity. Using mathematical and computational methods, they analyzed earthquake data alongside solar activity records and surface temperatures on Earth and observed that when they included Earth surface temperatures into their model, the forecasting became more accurate, especially for shallow earthquakes.

Research 286
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Orally Bioavailable and Site-Selective Covalent STING Inhibitor Derived from a Macrocyclic Marine Diterpenoid

Covalent Modifiers

Guang-Hao Niu, Wan-Chi Hsiao, Po-Hsun Lee, Li-Guo Zheng, Yu-Shao Yang, Wei-Cheng Huang, Chih-Chien Hsieh, Tai-Yu Chiu, Jing-Ya Wang, Ching-Ping Chen, Chen-Lung Huang, May-Su You, Yi-Ping Kuo, Chien-Ming Wang, Zhi-Hong Wen, Guann-Yi Yu, Chiung-Tong Chen, Ya-Hui Chi, Chun-Wei Tung, Shu-Ching Hsu, Teng-Kuang Yeh, Ping-Jyun Sung, Mingzi M. Zhang, and Lun Kelvin Tsou Journal of Medicinal Chemistry 2025 DOI: 10.1021/acs.jmedchem.4c02665 Pharmacological inhibition of the cGAS-STING-controlled innate im

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First Prader-Willi drug to reduce hunger approved by FDA

BioPharma Drive: Drug Pricing

Clearance of Vykat unlocks what analysts anticipate will be a lucrative market opportunity for Soleno Therapeutics.

FDA 310
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Clinical Data Like You´ve Never Seen It Before: Why Spotfire Is the Leading Tool for Clinical Analytics

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

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Firearms Rarely Used For Protection Against Crime

Drugs.com

WEDNESDAY, March 19, 2025 -- People often say they own a gun to protect themselves and their families.But firearms owners rarely use their weapon in self-defense, a new study says.An overwhelming majority of gun owners -- 92% -- say theyve never u.

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Breakthrough in clean energy: Palladium nanosheets pave way for affordable hydrogen

Science Daily: Pharmacology News

Hydrogen energy is widely recognized as a sustainable source for the future, but its large-scale production still relies on expensive and scarce platinum-based catalysts. In order to address this challenge, researchers have developed Bis(diimino)palladium coordination nanosheets (PdDI), a novel two-dimensional electrocatalyst that effectively facilitates the hydrogen evolution reactions while minimizing the use of precious metals like platinum, paving the way for affordable hydrogen production.

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First operating system for quantum networks

Science Daily: Pharmacology News

Researchers have announced the creation of the first operating system designed for quantum networks: QNodeOS. The research marks a major step forward in transforming quantum networking from a theoretical concept to a practical technology that could revolutionize the future of the internet.

Research 335
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World's critical food crops at imminent risk from rising temperatures

Science Daily: Pharmacology News

A new study offers a more precise picture of exactly where and how warming will affect our ability to grow food.

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Paralyzed man moves robotic arm with his thoughts

Science Daily: Pharmacology News

Researchers have enabled a man who is paralyzed to control a robotic arm through a device that relays signals from his brain to a computer. He was able to grasp, move and drop objects just by imagining himself performing the actions.

Research 339