How Artificial intelligence and big data helping in R&D of new coronavirus drugs

Recently, the Global Health Drug Research and Development Center (GHDDI) and Tsinghua University School of Pharmacy opened up drug research and development resources to scientific researchers for free to jointly accelerate the development of new coronavirus drugs. The resources opened by the Global Health Drug R & D Center are mainly for the research of drugs that can effectively act on new coronaviruses. New technologies such as artificial intelligence and big data will play an important role.

How Artificial intelligence and big data helping in R&D of new coronavirus drugs

Specifically, first of all, how to find a possible effective drug in a short period of time to quickly alleviate the current epidemic situation, is using the "old drug new use" research and development means, that is, the safety of screening through a phase of clinical trial verification has Certainly guaranteed drugs, speeding up the development of candidate drugs; meanwhile, formulate medium and long-term goals: develop safer and more effective drugs and vaccines, and deepen the scientific community and the public's awareness of coronavirus.
  Aiming at the goal of "old medicine new use", GHDDI has used 3 complementary research and development schemes to find clinically safe and effective drugs, and has also found some candidate schemes. Further confirmation research and sequencing are ongoing, and the scheme will be implemented as soon as possible. Submit to relevant national agencies and assist in advancing clinical research. GHDDI has already deployed relevant teams and has been working on this for a long time. For example, the artificial intelligence drug research and development platform and big data sharing platform that are already online are supported and operated by the central artificial intelligence research and development team. Basic scientific researchers or institutions provide the center's high-throughput screening platform, multiple compound molecular libraries, and other high-quality resources for free. In addition, the center team has now established a number of new coronavirus target structure models and carried out a series of work.
Artificial Intelligence coranavirus

From the perspective of available resources, we are not sure whether the drugs used for SARS and MERS can effectively affect the virus outbreak. SARS, MERS, and new coronaviruses all have a protease target similar to HIV. There are two types of known drugs that have been discussed more and are more reliable. One is an inhibitor of HIV protease and the other is Is a new nucleoside analog antiviral drug against Ebola virus. These two drugs may have an effect on two different targets of the new coronavirus, one of which is based on in vitro experiments, animal models, and clinical data for Ebola virus. Bigger. But whether it is really effective for the treatment of new coronavirus needs further verification.
  It is recommended that national authoritative organizations take the lead in setting up a national diagnostic and therapeutic drug selection expert group to sort the potential of drug candidates from the aspects of virus characteristics, pharmacological effects of existing marketed drugs, and syndrome differentiation of traditional Chinese medicine, and systematically organize scientific research units to focus on anti-virus Screening of activities and evaluation of pharmacological effects to speed up the process of drug development. At the same time, an inter-departmental coordination and sharing mechanism for direct reporting of infectious diseases is established. For example, the State Drug Administration has focused on real-world drug use data and evidence transformation applications, and provides basic evidence for subsequent conditional approval and special review procedures for the approval of therapeutic drugs. Support; use the infectious disease network direct reporting system to conduct patient epidemiological surveys and retrospective analysis of medication regimens, establish a case cohort, and analyze the infectious trends, recommended and non-recommended diagnostic and therapeutic regimens, combined Chinese and western medicine with Western medicine alone Treatment was conducted in a timely and in-depth retrospective comparative study to establish a cohort of patients and conduct in-depth comparative analysis to find effective therapeutic drugs and traditional Chinese medicine combined treatment methods.
  The development of drugs has its objective time rule, which usually takes 5 to 10 years, but "old medicine new use" can usually shorten the time greatly. At present, GHDDI has used 3 complementary research and development schemes to find clinically safe and effective drugs for the goal of "old medicines and new uses". It has also found some candidate schemes, and is conducting further confirmation research and sequencing. In addition to the research and development work done by the GHDDI team, it also cooperated with the Tsinghua University School of Pharmacy to open a series of advanced internal resources to researchers and institutions with research foundations in the society for free, such as artificial intelligence drug research and development platforms and big data sharing platforms. Flux screening platforms, multiple compound molecular libraries, etc., with a view to supporting social research and development capabilities. At the same time, it is also actively contacting researchers and institutions with advanced technology and advantageous resources at home and abroad to jointly solve problems.
  Recently launched artificial intelligence drug research and development and big data sharing platform, which covers related experimental information of more than 900 small molecules involved in previous coronavirus related research at different stages, more than 2,000 coronavirus related literature records and original links , And update the scientific frontier reports of new coronaviruses in real time, hoping that the scientific research community can participate in refining useful information and get help or inspiration, and jointly help the research on new coronaviruses. Another example is the high-throughput screening platform and multiple compound molecular libraries, which can help scientists to efficiently screen out compounds with known safety after the first phase of clinical trials, effectively reducing the drug development time for the epidemic.
  In addition, the GHDDI team also established multiple target structure models based on the homology of the new coronavirus and SARS virus and carried out a series of molecular dynamics simulations, computational chemical drug design, and artificial intelligence drug design work. It will be completed within a few days after obtaining the new virus gene sequence, in order to further explore the target mechanism and realize the virtual screening of "old drugs and new uses", laying a foundation for subsequent drug design and experimental development.
  Research on new coronaviruses is very welcome. Scientific researchers and institutions are welcome to apply to use GHDDI's free R & D platform, and we will do our best to support it. In the early stage of cooperation, it is necessary to reach a consensus on the timely disclosure of data and the sharing of results with the society. At the same time, GHDDI itself does not pursue benefits, and will do its best to provide services. drug.
  Through a series of R & D efforts and initiatives, scientists hope to find effective drug candidates in the short term to alleviate the current epidemic. In the medium and long term, it can also effectively improve the efficiency of disease research and drug development, and promote the development of related fields in China. At present, GHDDI and the scientific community have guided the current epidemic based on previous data and have found some drugs that may be effective, but GHDDI is further verifying and rigorous judgment and ranking based on multi-layer data. Whether the drug candidates are truly effective and safe requires further clinical verification.
  As scientists, we have devoted ourselves to solving the current problems and have made considerable progress. We have the confidence and great hope that we can contribute to the solution of the new coronavirus. In addition, make a suggestion to the public, if conditions permit, you can get the flu vaccine. The current epidemic is also the flu season. Although it cannot directly resist the new coronavirus, it can reduce the burden on the hospital and protect the body.


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