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World's largest database for cancer drug discovery revolutionised by 3D techniques

THE world's largest database for cancer drug discovery has been revolutionised by adding 3D structures of faulty proteins and maps of cancer's communication networks, according to Cancer Research UK-funded research published in Nucleic Acid Research today (Mon

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THE world's largest database for cancer drug discovery has been revolutionised by adding 3D structures of faulty proteins and maps of cancer's communication networks, according to Cancer Research UK-funded research published in Nucleic Acid Research today (Monday).

The updated canSAR database, developed at The Institute of Cancer Research, London, will allow scientists working in the UK and across the globe to design new cancer treatments more effectively.

The canSAR database was launched in 2011 by researchers in the Cancer Research UK Cancer Therapeutics Unit at The Institute of Cancer Research (ICR) - with the ambitious goal of using Big Data approaches to build a detailed picture of how the majority of known human molecules behave.

canSAR has already collated billions of experimental measurements mapping the actions of one million drugs and chemicals on human proteins, and has combined these data with genetic information and results from clinical trials.

The new version of canSAR uses artificial intelligence to identify nooks and crannies on the surface of faulty cancer-causing molecules, as a key step in designing new drugs to block them. It also allows scientists to identify communication lines that can be intercepted within tumour cells, opening up potential new approaches for cancer treatment.

The growing database now holds the 3D structures of almost three million cavities on the surface of nearly 110,000 molecules.

Cancer Research UK and the ICR together ensure that this resource is free to use for researchers around the world, giving them speedy access to key information.

Dr Bissan Al-Lazikani, team leader in computational biology at The Institute of Cancer Research, London, who led the Cancer Research UK-funded team that developed canSAR, said: "Our database is constantly growing with information and is the largest of its kind - with more than 140,000 users from over 175 countries. And we regularly develop new artificial intelligence technologies that help scientists make predictions and design experiments. Our aim is that cancer scientists will be armed with the data they need to carry out life-saving research into the most exciting drugs of the future.

"Scientists need to find all the information there is about a faulty gene or protein to understand whether a new drug might work. These data are vast and scattered, but the canSAR database brings them together and adds value by identifying hidden links and presenting the key information easily."

Professor Paul Workman, chief executive of The Institute of Cancer Research, London, and a Cancer Research UK Life Fellow, said: "The canSAR database is an important part of the overall drive to use Big Data approaches to understand and treat cancer more effectively. canSAR is a massively powerful resource that's used globally by researchers to gain rapid and easy to use access to a huge wealth of integrated knowledge in biology, chemistry and cancer medicine. This latest research has greatly enhanced the power of canSAR to enable scientists to select the best possible targets for future cancer drug discovery and also to help them develop really innovative drugs much more rapidly and effectively than ever before for the benefit of cancer patients worldwide."

Dr Kat Arney, Cancer Research UK's science information manager, said: "This database makes masses of detailed scientific information about cancer available to scientists all over the world, and will speed up crucial advances in drug discovery - ultimately saving more lives. Finding new treatments for cancer can be a long and expensive process, so anything that cuts times and costs will help to bring the next generation of therapies to patients even sooner."

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Related questions

01Could daraxonrasib be effective against other cancer types?

RAS mutations are one of the most common cancer-causing genetic mutations, and the drug is now being studied in several cancer types. I think it's going to work especially well in tumors that are primarily RAS driven, including colon cancer and lung cancer. It might also work in other cancer types in combination with drugs targeting other genetic mutations, but further research is needed.

Source: www.news-medical.net ↗
02There is considerable excitement around AI in drug development. Where do you see the largest gap between hype and reality, and where is AI perhaps underappreciated?

AI is moving so quickly that in the gap between answering this and publication, I could be proved wrong! With that caveat, there is a lot of hype around AI drug discovery campaigns. AI is certainly a substantial part of many discovery programs today and has been applied in drug discovery for many years. However, we need to be realistic about what AI is doing, where humans remain central, and how that balance may vary. AI agents are an area that has emerged relatively recently and continues to evolve quickly. They can complete tasks for example data extraction and reporting with guidance from experts, helping to generate larger, more standardized datasets over time. They can also help build closed-loop systems that connect computation and experiment directly, with strategic direction still coming from expert scientists. However, care and oversight is needed with these systems to validate their actions. I also think people often equate AI with generative AI, but there are many other AI systems which are underappreciated. For example, the GNN property prediction models and task-specific predictive tools we discussed earlier can be extremely valuable. Some of these methods receive less attention simply because they have already become familiar in drug discovery.

Source: www.news-medical.net ↗
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Source: www.medicinenet.com ↗
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Source: www.news-medical.net ↗
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Daily, if you eat a balanced diet that includes healthy foods, you technically should not need a vitamin supplement. A healthy diet incorporates lean proteins, healthy fats, grains, fruits, and vegetables. But if you do not have a balanced diet, you may be considering hair, skin, and nail vitamins. Some people prefer supplements, sometimes choosing a multivitamin that can supply all of your essential minerals and vitamins. But taking too much of vitamins or unnecessary supplements is wasteful because the body gets rid of excess vitamins and minerals or, worse, it can be dangerous. The following is a guide to choosing which vitamins you may want to consider supplementing and when. Deficiencies in the nutrients that keep the skin, hair, and nails healthy can cause changes over time. For example, not enough intake of vitamins A and E, along with not enough biotin, can cause scaly and rough skin patches, eczema, and hair loss. If there is a deficiency, vitamins will help. However, if there is no deficiency, there is no clear evidence that supplements will make a difference. No research studies concluded that supplements treat or prevent age-related, natural hair damage or loss or lead to healthier skin. Two studies in the early 1990s did suggest that a biotin supplement may cause the hair to become stronger and strengthen weak nails. However, the studies were small and not reproduced.

Source: www.medicinenet.com ↗
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Peptide Therapy Guide Editorial Team

Editorial team for Peptide Therapy Guide.

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