J Comput Biol: A New Method To Predict The Target Of Antiviral Drugs Or Vaccines

- May 01, 2020-

A new method for predicting the most promising antiviral drugs or vaccine targets is based on the conformational changes experienced by viral glycoproteins during recognition and binding to host cells. This prediction method is aimed at the main chain hydrogen bond of the highest free energy motif. Related research results are published in the Journal of Computational Biology, which is a peer-reviewed journal published by Mary Ann Liebert.


Robert Penner is the chairman of Rene Thom of the French Institute for Higher Education (Bures-sur-Yvette) and UCLA Mathematical Biology. He is the author of this article entitled "Backbone Free Energy Estimator applied to Viral Glycoproteins"


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Image source: Mary Ann Liebert, Inc., publishers


As the virus enters the host cell and is absorbed, the virus usually undergoes vigorous recombination, forming a fusion / infiltration motif. Penner proposed a general method for predicting highly conformationally active residues from the three-dimensional structure of viral glycoproteins. The method includes analyzing the hydrogen bonds of the protein and calculating the free energy differences of the corresponding features to determine the areas where the conformational change is most likely to occur. The method proposed in this paper is currently used for the spike glycoprotein of SARS CoV-2, which can cause COVID-19.


Misha Gromov of the Institute of Advanced Science and New York University said: "A mathematical idea directly leads to a practical meaning, which is simply a miracle, but the reward is huge because it occurs in Maxwell's electromagnetic field theory-it brings radio and television , Opening the door to theoretical calculations in our digital world. "He is a famous mathematician and Abel Prize winner (also known as the Nobel Prize in Mathematics). "Only when its author is a distinguished mathematician but also has a broad scientific horizon, such an idea is possible, and this is rare among the best mathematicians of our time. Robert Penner is Such a rare mathematician, he found that the method of protein structure pattern is different from anyone else in the world, and the protein structure pattern is the result of pure mathematical thinking. This method is likely to play a role and accelerate the development of anti-virus Drugs or vaccines. But only experiments can prove this. "(Bioon.com)


source:

A method for predicting antiviral drug or vaccine targets

Robert C. Penner et al. Backbone Free Energy Estimator applied to Viral Glycoproteins. Journal of Computational Biology. Apr 2020 https://doi.org/10.1089/cmb.2020.0120