Ammonia bromine, known to “Mucosolvan”, is a respiratory lubrication phlegm medicine clinically commonly used in acute and chronic bronchitis and other diseases. Now, Chinese scientists have discovered the potential to treat a new coronavirus (2019-nCoV) through artificial intelligence drug target screening. The results came from Wang Yuedan and the team of Chu Ming of Peking University’s School of Basic Medicine.
On January 25, the team announced that after learning about the functional receptors of the new coronavirus 2019-nCoV, it used an independently developed artificial intelligence drug target screening system, focusing on 2,674 drugs already on the market and 1,500 Chinese medicine extracts for drug screening, and found a variety of potential drugs. It is expected to treat the new coronavirus infection pneumonia, which includes the commonly used drug Mushutan and so on.
Wang Yuedan is the deputy director of the Department of Immunology of the School of Basic Medicine of Peking University, deputy director of the Biomedical Experimental Teaching Center of the Department of Medicine and director of the Integrated Laboratory of Pathogens and Immunology, and won the 2007 Natural Science Award (First Prize) of the Ministry of Education’s Higher Education Institute, and participated in the SARS Molecular Pathology and Immunology Pathogen Severity Research project.
Wang Yuedan and the team’s drug screening is based on a heavy paper on January 21. In collaboration with Zhong Wu, a researcher at the Shanghai Pasteur Research Institute of the Chinese Academy of Sciences, Zhong Wu, a researcher at the National Center for Emergency Prevention and Control drug engineering and technology, and Li Xuan, a researcher at the Center for Excellence in Molecular Plant Science of the Chinese Academy of Sciences, li Xuan, published online in China Science: Life Sciences. The evolutionary origin of wuhan’s new coronavirus and the molecular pathway of human infection are revealed.
In the aforementioned paper, the researchers found that four of the five key amino acids in the new coronavirus spike protein that bind to the human ACE2 protein changed, but the changed amino acids perfectly maintained the original structure of SARS-CoV’s S-Protein and ACE2 protein.
In this regard, the authors explain that although the new structure of the new coronavirus and ACE2 protein interaction ability, due to the loss of a few hydrogen bonds decreased, but still achieve a strong binding free energy. This means that the ACE2 protein in the body plays a key role in the virus infection.
ACE2 is a key molecule of renin-angiotensin-aldosterone system (RAS) and one of the important molecules expressed on the surface of a variety of human cells, including alveolyse epithelial cells. In 2003, ACE2 was identified as a functional receptor for SARS coronavirus.
After locking in the receptor ACE2 protein, Wang and Chuming’s team screened the drugs on the market using an artificial intelligence drug target screening system, and found a number of potential drugs.
But why just published Mu shutan? In an interview with the China Science Daily, Chu Ming, an associate professor at Peking University’s School of Basic Medicine, said that after comprehensive consideration, they believe that the side effects of mushutan poison are low, or a commonly used drug in respiratory medicine, which can be considered for observation in clinical treatment first. At the same time, they also found a number of hormone drugs, to be further clarified, because do not want to cause clinical distress, not yet published.
Notably, on January 25th, the Shanghai Institute of Pharmaceutical Research of the Chinese Academy of Sciences also announced the screening of a number of potential drugs.
The joint emergency response team against 2019-nCoV virus infection, led by Academician Jiang Hualiang and Rao Zi and academician, and led by more than 20 subject groups, screened 30 drugs with therapeutic potential. The 30 drugs include 12 anti-HIV drugs, 2 anti-respiratory syncytial virus drugs, and several active natural products and traditional Chinese medicine.
The team used the experience gained in early anti-SARS drug research to conduct anti-2019-nCoV drug research. After the SARS outbreak in 2003, Rao Zi and the decisive cooperation of many parties formed a combative “SARS research team”, only one month for the first time to analyze the three-dimensional structure of SARS coronavirus protease, for anti-SARS research laid a scientific foundation.
Specifically, Rao zi and Yang Haitao’s team quickly expressed the 2019-nCoV hydrolysis enzyme (Mpro) and obtained a high-resolution crystal structure, on the basis of which the joint team combined a combination of virtual screening and enzymatic testing, focusing on listed drugs and self-built “high-drug compound database” and ” The pharmaceutical plant-sourced compound ingredient database ” was screened and quickly identified 30 drugs, active natural products and traditional Chinese medicines that may have therapeutic effects on 2019-nCoV, and it is recommended that consideration and attention be given in the clinical treatment of patients with pneumonia infection in 2019-nCoV.
So where is the difference between Rao Zi and Yang Haitao team’s screening ideas and Wang Jedan and The Chuming team’s screening ideas? The virus enters the body by binding receptors to infect cells, the method is to target the virus’s receptors, that is, the virus into the cell’s door, equivalent to closing the virus into the cell. The Chinese Academy of Sciences drug is aimed at the virus itself, that is, the virus secreted hydrolytic enzyme (Mpro) screening drugs, different targets, the choice of drugs are not the same.