drug discovery process Articles
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Application of site-identification by ligand competitive saturation in computer-aided drug design
Abstract Site Identification by Ligand Competitive Saturation (SILCS) is a molecular simulation approach that uses diverse small solutes in aqueous solution to obtain functional group affinity patterns of a protein or other macromolecule. This involves employing a combined Grand Canonical Monte Carlo (GCMC)-molecular dynamics (MD) method to sample the full 3D space of the protein, including ...
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In Silico Sorcery: Envisioning Tomorrow's Drugs Today with Computational Design
In the dynamic realm of drug discovery, the pursuit of innovative and effective treatments for diverse diseases demands groundbreaking approaches that can expedite the drug development lifecycle. Amidst these endeavors, Computer-Aided Drug Design (CADD) has emerged as a transformative methodology, harnessing the power of computational tools and simulations to predict, understand, and optimize the ...
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Virtual Screening: Revolutionizing Drug Discovery through Computational Intelligence
In the fast-paced realm of drug discovery, scientists constantly seek innovative approaches to efficiently and cost-effectively identify potential drug candidates. Virtual screening, a breakthrough computational technique, is poised to transform the pharmaceutical industry. In this article, we delve into the world of virtual screening and explore its remarkable potential to revolutionize drug ...
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90 Days as a Recursionaut
Throughout my career, I always heard about finding your “dream job” but had honestly dubbed the concept a myth. I never imagined that one day, that myth would become my reality. On April 5th, 2021 my now-manager Ben Sukow called with a job offer that changed my perspective. For almost a decade, I have wanted to work in the field of computational biology. I wanted to learn and grow ...
By Recursion
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Advances in Molecular Docking Software: Streamlining Drug Discovery
Molecular docking, a critical component of structure-based virtual screening, plays a pivotal role in the field of drug design by predicting the binding interactions between small molecules and proteins. This article explores the various approaches, software tools, and techniques employed in molecular docking and highlights their potential in accelerating drug discovery. The Importance of ...
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What Are Sphingolipids?
Structure and metabolism of sphingolipids Recently, more than 300 species of sphingolipids have been identified and characterized as long-chain sheath-like base backbones. Ceramide is the aminoacylation product of sphingosine at the 2-carbon position, which has strong biological activity and is a basic structural unit of sphingolipids. The simplest forms of sphingolipids include phosphoceramides ...
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Ion Channel Screening & Profiling: Unlocking a New Dimension in Drug Discovery
In the realm of drug discovery, researchers are constantly striving to unlock new possibilities for the treatment of diseases. One crucial aspect of this endeavor is the understanding and exploration of ion channels - integral membrane proteins that regulate the flow of ions across cell membranes. These channels play a fundamental role in numerous physiological processes and are essential targets ...
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How to Apply In Vitro DMPK Services to Support Drug Development and ADMET Study
Drug development is a complex and multifaceted process that involves extensive research and testing to ensure safety, efficacy and quality for human use. One critical element in the drug development process is drug metabolism and pharmacokinetics (DMPK), which refers to how a drug is absorbed, distributed, metabolized, and excreted (ADME) from the body. In vitro DMPK services, along with ...
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How to Apply In Vitro DMPK Services to Support Drug Development and ADMET Study
Drug development is a complex and multifaceted process that involves extensive research and testing to ensure safety, efficacy and quality for human use. One critical element in the drug development process is drug metabolism and pharmacokinetics (DMPK), which refers to how a drug is absorbed, distributed, metabolized, and excreted (ADME) from the body. In vitro DMPK services, along with ...
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Understanding The Applications of Immortalized Cell Lines and Exploring Their Future in Biology Research
In the field of biomedical research, immortalized cell lines have proven to be invaluable tools for a wide range of studies. These cell lines, derived from primary cells, possess the unique ability to undergo continuous division, providing researchers with a sustainable and consistent source of cells for experimentation. Additionally, immortalized cell lines have the advantage of maintaining the ...
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Understanding Drug-Disease Relationship Analysis: A Key to Drug Discovery
In the realm of modern medicine, the quest for new and effective drugs to combat various diseases is a continuous journey. Drug discovery, the process of identifying compounds that can potentially treat diseases, has seen a significant transformation in recent years, thanks to advancements in computational biology and artificial intelligence (AI). In this article, we will delve into the ...
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Key Takeaways from BIO 2022 for AI-enabled Drug Discovery
It was great to be back in person at the 2022 BIO International Convention this year. It came as no surprise to us at Recursion that artificial intelligence (AI) and machine learning (ML) were hot topics at the conference, with more than half a dozen sessions exploring how these technologies are driving digital transformation in biopharma. We heard from leaders who are applying AI at ...
By Recursion
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Using AI to Fight a Pandemic: Insilico Medicine Announces Novel Preclinical Candidate for COVID-19 Treatment
Insilico Medicine announced the nomination of a novel preclinical therapeutic candidate for treating COVID-19, designed using the generative chemistry AI platform Chemistry42. The new drug candidate is a 3CL protease inhibitor unique from existing drugs in its class because it can be rapidly produced. While this nomination is a potentially important development for the ongoing COVID-19 pandemic ...
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Three scientists won the Wolff Chemistry Award 2022
Recently, the Wolf Foundation published a list of Wolf Chemistry Award winners in 2022, with honors from Professor Bonnie L. Bassler at Princeton University, Professor Carolyn R. Bertozzi at Stanford University, and Professor Benjamin F. Cravatt III at the Scripps Institute. The press release points out that these scientists have made pioneering contributions to understanding the chemistry behind ...
By Profacgen
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Delivering a precision medicine programme at scale
The Covid-19 pandemic highlighted the disparity between those who succumbed to severe illness while others remained relatively unaffected, underscoring the urgent need to shift the healthcare industry’s focus from a one-size-fits-all approach to more personalised healthcare. Personalised medicine promises to transform healthcare with treatments tailored to a patient’s unique genetic ...
By Lifebit
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