Anti-new crown with code? How Computer Aided the Research and Development of Special Drugs

Many people think that research drugs can only be done in the laboratory, wearing white coats, studying various molecules, elements to doThen you're so wrong! In recent years, with the development and maturity of computer technology, there has been a new technical means of "code-resistant disease", also known as computer-aided drug design (CADD)In this outbreak of new crown pneumonia, computer-assisted drug design also contributes to the development of antiviral drugs, then, what is a computer-assisted drug, and how does it work for the development of antiviral drugs? Recently, on these issues, the drug intelligence interview special interview Chongqing Medical University School of Pharmacy Associate Professor Deng Ping, listen to the authority of experts in the eyes of the computer-aided drug Jianghu!fresh! The code can also fight the virus!you've heard that a small code on a computer can fight viruses? Yes, Computer-assisted Drug Design (CADD) is a discipline that uses computer chemistry as the basis to design and optimize the methods of leading compounds through simulation, budget, etc., thus contributing to the development of new drugsthe discovery ofnew drugs is a costly and inefficient task"According to statistics, the average time to develop new drugs takes 10-15 years, costs about 200-300 million U.Sdollars, and the cost of new drug development is increasingWith the development of computer hardware and software, the method of computer-aided drug design has gradually matured, and its application has greatly accelerated the speed and efficiency of new drug research and development, and has become one of the conventional methods of modern drug research and developmentDeng Ping saidnew drug development processso far, at least 40 drugs have been successfully developed and marketed with the participation of computer-assisted drug design"Such as the anti-AIDS drug HIV protease inhibitor saquinavir, anti-avian influenza drug salivary enzyme inhibitor zarnamivir, antihypertensive drug catapult, as well as the Chinese Medical Hospital drug research and treatment of osteoarthritis Ofeeb, the Chinese Academy of Sciences Shanghai Pharmaceutical Research Institute developed the antibacterial drug antus acid Antosacin"How cancomputer assist the new crown special effects medicine? at present, the research and development of the new coronapneumonia virus drug mainly focuses on the following aspects: First, vaccine research and development At present, more than 100 candidate vaccines are being developed worldwide, and a variety of vaccines have entered clinical trials, and a variety of vaccines have shown clinical efficacy second, adopt a "new drug" research and development strategy, from the listed drugs to screen drugs with anti-neo-coronavirus, in order to shorten the time cost of drug development Since the drug on the market is intended to target specific targets and diseases, the chances of finding specific drugs are lower Many potential lying drugs, such as Phapilavir and Redsivir, have been found to be ineffective or controversial in the final clinical trials Third, , new drugs for specific targets of the new coronavirus The new coronavirus is an RNA virus, easy to produce variation, new drug development is very difficult, the average new drug needs to go through ten years to become a drug, in the short term it is difficult to see the production of special effects of drugs " After the outbreak of Xinguan pneumonia, many research institutions and enterprises have used computer-assisted drug design methods to assist in a lot of research work Deng Ping said, such as Jingtai Technology in January through the same source modeling method released the new crown virus 3CLpro 3D structure, which is highly consistent with the later analysis of the crystal structure, for the early study to save valuable time; with the joint efforts of scientists around the world, the main protease and S protein of the new crown pneumonia virus were rapidly analyzed, laying the foundation for the development of computer-aided drug design in Deng Ping's view, the computer can assist in the development of anti-neo-coronary pneumonia virus drugs in the following two aspects First, for the low-active compounds found, by predicting their target proteins, understanding the mechanism of the drug's action, promoting structural optimization and increasing activity, and second, for virus invasion, replication and release of related targets, the detection of potential lead compounds through virtual screening and other means "The development cycle of anti-neo-coronavirus-specific drugs can be shortened by means of computer-assisted drug design methods and means." written in the last words
in recent years, computer-assisted drugs have made some achievements, through a variety of simulations, testing, in the target of the discovery, pilot compound discovery and optimization of achievements, but it is necessary to see that the computer is only to assist the new drug research and development process, not omnipotous, new drug research and development also needs experimental verification, and counter-reaction to CADD, to promote its development.